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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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*/ |
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|
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#include <sys/time.h> |
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#include <string.h> |
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#include <stdio.h> |
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#include <stdlib.h> |
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#include <math.h> |
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|
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#ifdef IS_MPI |
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#include <mpi.h> |
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|
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#include "brains/mpiSimulation.hpp" |
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#endif //is_mpi |
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|
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#include "config.h" |
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#include "utils/simError.h" |
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#include "profiling/mdProfile.hpp" |
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|
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namespace mdProfileSpace { |
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|
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class ProfileString{ |
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public: |
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char myName[MAX_PROFILE_NAMELENGTH]; |
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}; |
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|
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ProfileString theNames[N_PROFILES]; |
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|
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struct timeval startTime[N_PROFILES]; |
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struct timeval endTime[N_PROFILES]; |
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|
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RealType accumTime[N_PROFILES]; |
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|
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#ifdef IS_MPI |
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RealType globalTime[N_PROFILES]; |
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#endif //is_mpi |
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|
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|
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} |
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|
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extern "C"{ |
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|
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void FC_FUNC(gettimes, GETTIMES)(RealType* forceTime, |
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RealType* commTime); |
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} |
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|
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|
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using namespace mdProfileSpace; |
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|
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|
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void initProfile( void ){ |
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|
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int i; |
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|
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for( i=0;i<N_PROFILES;i++ ){ |
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|
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accumTime[i] = 0.0; |
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|
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#ifdef IS_MPI |
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globalTime[i] = 0.0; |
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#endif //is_mpi |
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} |
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|
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strncpy( theNames[pro1].myName, "Integrator->integrateStep()", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro2].myName, "Integrator->writes and stats", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro3].myName, "Integrator->preMove", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro4].myName, "Integrator->moveA", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro5].myName, "Integrator->CalcForce", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro6].myName, "Integrator->moveB", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro7].myName, "shortRange force calc", MAX_PROFILE_NAMELENGTH ); |
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strncpy( theNames[pro8].myName, "fortran force calc", MAX_PROFILE_NAMELENGTH ); |
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} |
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|
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|
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void startProfile( proNames theProfile ){ |
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struct timezone tz; |
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|
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gettimeofday( &startTime[theProfile], &tz ); |
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} |
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|
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void endProfile( proNames theProfile ){ |
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struct timezone tz; |
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RealType startVal, endVal; |
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|
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gettimeofday( &endTime[theProfile], &tz ); |
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|
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startVal = (RealType)startTime[theProfile].tv_sec |
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+ (RealType)startTime[theProfile].tv_usec / 1000000.0; |
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|
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endVal = (RealType)endTime[theProfile].tv_sec |
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+ (RealType)endTime[theProfile].tv_usec / 1000000.0; |
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|
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accumTime[theProfile] += endVal - startVal; |
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} |
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|
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|
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void writeProfiles( void ){ |
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|
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int i; |
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RealType totalTime; |
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RealType percentTime[N_PROFILES]; |
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int days, hours, minutes, secs, msecs; |
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RealType donkey; |
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|
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RealType forceTime, commTime; |
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|
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#ifdef IS_MPI |
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int j; |
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|
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MPI_Status istatus; |
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|
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RealType nodeTime, nodeForceTime, nodeCommTime; |
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RealType nodeAccum[N_PROFILES]; |
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RealType nodePercent[N_PROFILES]; |
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|
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RealType globalTime, globalForceTime, globalCommTime; |
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RealType globalAccum[N_PROFILES]; |
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RealType globalPercent[N_PROFILES]; |
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#endif // is_mpi |
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|
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|
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#ifndef IS_MPI // single processor version |
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|
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totalTime = 0.0; |
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for(i=0;i<N_PROFILES;i++) |
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totalTime += accumTime[i]; |
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|
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for(i=0;i<N_PROFILES;i++) |
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percentTime[i] = accumTime[i] / totalTime; |
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|
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fprintf(stdout, |
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" Time Spent Percent Time Name\n" |
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"-------------- ---------------- -----------------------------------------\n" |
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); |
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|
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for(i=0;i<N_PROFILES;i++){ |
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fprintf(stdout, |
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" %12G %14G %40s\n", |
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accumTime[i], |
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percentTime[i], |
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theNames[i].myName ); |
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} |
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|
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days = (int)floor( totalTime / 86400 ); |
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donkey = totalTime - 86400 * days; |
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|
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hours = (int)floor( donkey / 3600 ); |
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donkey -= hours * 3600; |
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|
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minutes = (int)floor( donkey / 60 ); |
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donkey -= minutes * 60; |
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|
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secs = (int)donkey; |
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msecs = (int)( (donkey - secs) * 1000 ); |
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|
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FC_FUNC(gettimes, GETTIMES)(&forceTime, &commTime); |
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|
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fprintf( stdout, |
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"----------------------------------------------------------------------------\n" |
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" Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n" |
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"\n" |
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" From Fortran: forceTime = %G secs; communicationTime = %G secs.\n", |
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days, |
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hours, |
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minutes, |
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secs, |
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msecs, |
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totalTime, |
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forceTime, |
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commTime); |
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|
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#else // the parrallel version |
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|
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if( worldRank == 0 ){ |
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|
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RealType *nodeTots = new RealType[mpiSim->getNProcessors()]; |
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RealType *nodePercentTots = new RealType[mpiSim->getNProcessors()]; |
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|
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totalTime = 0.0; |
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for(i=0;i<N_PROFILES;i++) |
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totalTime += accumTime[i]; |
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|
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for(i=0;i<N_PROFILES;i++) |
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percentTime[i] = accumTime[i] / totalTime; |
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|
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fprintf(stdout, |
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"\n" |
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"----------------------------------------------------------------------------\n" |
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" Output from Node %d: \n" |
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"\n" |
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" Time Spent Percent Time Name\n" |
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"-------------- ---------------- -----------------------------------------\n", |
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worldRank); |
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|
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for(i=0;i<N_PROFILES;i++){ |
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fprintf(stdout, |
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" %12G %14G %40s\n", |
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accumTime[i], |
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percentTime[i], |
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theNames[i].myName ); |
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} |
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|
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days = (int)floor( totalTime / 86400 ); |
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donkey = totalTime - 86400 * days; |
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|
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hours = (int)floor( donkey / 3600 ); |
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donkey -= hours * 3600; |
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|
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minutes = (int)floor( donkey / 60 ); |
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donkey -= minutes * 60; |
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|
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secs = (int)donkey; |
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msecs = (int)( (donkey - secs) * 1000 ); |
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|
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FC_FUNC(gettimes, GETTIMES)(&forceTime, &commTime); |
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|
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fprintf( stdout, |
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"----------------------------------------------------------------------------\n" |
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" Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n" |
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"\n" |
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" From Fortran: forceTime = %G secs; communicationTime = %G secs.\n", |
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days, |
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hours, |
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minutes, |
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secs, |
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msecs, |
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totalTime, |
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forceTime, |
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commTime); |
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|
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// now the rest of the nodes |
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|
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nodeTots[0] = totalTime; |
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|
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globalTime = totalTime; |
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globalForceTime = forceTime; |
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globalCommTime = commTime; |
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for(i=0;i<N_PROFILES;i++) |
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globalAccum[i] = accumTime[i]; |
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|
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|
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for(j=1;j<mpiSim->getNProcessors();j++){ |
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|
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nodeTime = 0.0; |
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|
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MPI_Recv(nodeAccum, N_PROFILES, MPI_REALTYPE, j, |
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1, MPI_COMM_WORLD, &istatus ); |
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|
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MPI_Recv(&nodeForceTime, 1, MPI_REALTYPE, j, |
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1, MPI_COMM_WORLD, &istatus ); |
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MPI_Recv(&nodeCommTime, 1, MPI_REALTYPE, j, |
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1, MPI_COMM_WORLD, &istatus ); |
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|
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for(i=0;i<N_PROFILES;i++){ |
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nodeTime += nodeAccum[i]; |
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} |
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|
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for(i=0;i<N_PROFILES;i++) |
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nodePercent[i] = nodeAccum[i] / nodeTime; |
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|
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fprintf(stdout, |
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"\n" |
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"----------------------------------------------------------------------------\n" |
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" Output from Node %d: \n" |
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"\n" |
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" Time Spent Percent Time Name\n" |
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"-------------- ---------------- -----------------------------------------\n", |
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j); |
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|
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for(i=0;i<N_PROFILES;i++){ |
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fprintf(stdout, |
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" %12G %14G %40s\n", |
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nodeAccum[i], |
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nodePercent[i], |
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theNames[i].myName ); |
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} |
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|
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days = (int)floor( nodeTime / 86400 ); |
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donkey = nodeTime - 86400 * days; |
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|
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hours = (int)floor( donkey / 3600 ); |
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donkey -= hours * 3600; |
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|
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minutes = (int)floor( donkey / 60 ); |
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donkey -= minutes * 60; |
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|
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secs = (int)donkey; |
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msecs = (int)( (donkey - secs) * 1000 ); |
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|
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fprintf( stdout, |
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"----------------------------------------------------------------------------\n" |
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" Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n" |
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"\n" |
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" From Fortran: forceTime = %G secs; communicationTime = %G secs.\n", |
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days, |
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hours, |
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minutes, |
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secs, |
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msecs, |
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nodeTime, |
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nodeForceTime, |
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nodeCommTime); |
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|
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for(i=0;i<N_PROFILES;i++) |
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globalAccum[i] += nodeAccum[i]; |
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|
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globalTime += nodeTime; |
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globalForceTime += nodeForceTime; |
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globalCommTime += nodeCommTime; |
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nodeTots[j] = nodeTime; |
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} |
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|
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// print out the totals |
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|
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for(j=0;j<mpiSim->getNProcessors();j++) |
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nodePercentTots[j] = nodeTots[j] / globalTime; |
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|
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for(i=0;i<N_PROFILES;i++) |
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globalPercent[i] = globalAccum[i] / globalTime; |
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|
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fprintf(stdout, |
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"\n" |
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"----------------------------------------------------------------------------\n" |
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" Total Across Nodes\n" |
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"\n" |
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" Time Spent Percent Time Name\n" |
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"-------------- ---------------- -----------------------------------------\n", |
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j); |
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|
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for(i=0;i<N_PROFILES;i++){ |
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fprintf(stdout, |
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" %12G %14G %40s\n", |
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globalAccum[i], |
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globalPercent[i], |
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theNames[i].myName ); |
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} |
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fprintf(stdout, |
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"\n" |
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"\n" ); |
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|
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for(j=0;j<mpiSim->getNProcessors();j++){ |
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|
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fprintf(stdout, |
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" %12G %14G node %d\n", |
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nodeTots[j], |
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nodePercentTots[j], |
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j ); |
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} |
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|
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days = (int)floor( globalTime / 86400 ); |
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donkey = nodeTime - 86400 * days; |
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|
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|
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hours = (int)floor( donkey / 3600 ); |
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donkey -= hours * 3600; |
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|
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minutes = (int)floor( donkey / 60 ); |
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donkey -= minutes * 60; |
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|
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secs = (int)donkey; |
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msecs = (int)( (donkey - secs) * 1000 ); |
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|
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fprintf( stdout, |
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"----------------------------------------------------------------------------\n" |
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" Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n" |
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"\n" |
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" From Fortran: forceTime = %G secs; communicationTime = %G secs.\n", |
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days, |
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hours, |
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minutes, |
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secs, |
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msecs, |
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globalTime, |
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globalForceTime, |
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globalCommTime); |
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} |
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|
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else{ |
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|
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for(j=1;j<mpiSim->getNProcessors();j++){ |
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|
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if( worldRank == j ){ |
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|
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FC_FUNC(gettimes, GETTIMES)(&forceTime, &commTime); |
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|
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MPI_Send( accumTime, N_PROFILES, MPI_REALTYPE, 0, 1, MPI_COMM_WORLD ); |
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MPI_Send( &forceTime, 1, MPI_REALTYPE, 0, 1, MPI_COMM_WORLD ); |
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MPI_Send( &commTime, 1, MPI_REALTYPE, 0, 1, MPI_COMM_WORLD ); |
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} |
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} |
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} |
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|
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#endif // is_mpi |
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|
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|
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} |
