Re: NAMD on Linux cluster with Myrinet

From: Alberto Santana (
Date: Mon Oct 18 2004 - 11:59:31 CDT

I managed to compiled NAMD with gm using icc v8.0. The BPTI example runs OK
but the ApoA1 (as created by Jim) does not, it complains about atoms not
having unique coordinates, right after that the "atoms are moving too fast"
error and it aborts. I then tried the MPI-GM version compiled with icc v8.0
and got exactly the same behavior. The ApoA1 example aborts because the atoms
were moving too fast. At this moment I don't trust neither one of those 2
I gave g++ a try and Voila!!!, everything runs smoothly. It would have been
nice to have them compiled with icc if IT COULD create a GOOD executable.

I wonder how the people at NCSA compiled theirs.

							 Best wishes,
Alberto Santana, PhD
Department of Chemistry
University of Puerto Rico - Mayaguez
P.O. Box 9019
Mayaguez PR 00681-9019
Phone: (787) 832-4040 x3760
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