NAMD compilation / TACC Ranger

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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