[Openmd-users] Question regarding gcc4.2

[Gamal Akabani]

Hello there:

First of all I am no genius. So I am sorry to post simple question but your help will be very much appreciated.
I am new and I am trying to install openmd. So far I have no success.
I followed very carefully the instructions for installing the "prerequisites"  at http://openmd.net/?p=56
My computer is using gcc version 4.2.1 (Apple Inc. build 5659).
However, the instruction state that MacPorts are "directed" at gcc version 4.4 as indicated below.

sudo /opt/local/bin/port install subversion openbabel qhull zlib
sudo /opt/local/bin/port install fftw-3 +gcc44
sudo /opt/local/bin/port install openmpi +gcc44

Do I need gcc version 4.4 installed in my computer?

Also, when I try to follow the example provided at http://openmd.net/?cat=4 I invoke

atom2md -ixyz methanol.xyz

It crashes with the following output

atom2md(25909) malloc: *** error for object 0x10087d6c0: pointer being freed was not allocated
*** set a breakpoint in malloc_error_break to debug
Abort

Your help will be very much appreciated.

Gamal Akabani, PhD.
Associate Professor
Department of Nuclear Engineering
Texas A&M University
129 Zachry Bldg
3133 TAMU
College Station, TX 77843-3133
(979) 458-1699 Phone
(979) 676-0695 Mobile
(979) 845-6443 FAX
[cid:3360487715_2657751]

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