From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Thu Aug 28 2008 - 11:25:14 CDT
Hi,
I'm trying to compile NAMD 2.6 on Ranger. I got some advices how to do
modifying environment and using proper compilers and libs. charm++ and
NAMD compiles with warnings. When NAMD is started it reads input, but
fails about libraries or environment. I understand that this list is not
probably the best place to discuss the peculiarities of TACC/Ranger, but
I hope that I could get some valuable advices or insights, while I'm
waiting help from Ranger staff.
I try to compile using intel 10.1 compiler with fftw2.2.5 and mvapich. I
do attach my log file. I modify my environment with :
module unload mvapich2
module unload mvapich
module swap pgi intel
module load mvapich
Best
Arturas
-- Arturas Ziemys, PhD School of Health Information Sciences University of Texas Health Science Center at Houston 7000 Fannin, Suit 880 Houston, TX 77030 Phone: (713) 500-3975 Fax: (713) 500-3929
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