[gmx-users] ic vs gcc : strange results
michel.cuendet at epfl.ch
Thu Feb 19 13:04:01 CET 2004
I don't get the same output when running the same benchmark with an
intel compiled or a gcc compiled version of gmx 3.1.4 on an opteron. The
intel version makes the system explode, gcc not.
However I recompiled only mdrun with icc, whereas grompp is gcc. Could
this create problems ?
Do the fftw libraries have to be compiled with the same compiler as
A related question : can the .tpr file be used safely on another
architecture, or does one need to use the local grompp every time ?
Thanks for your help,
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