NAMD compilation / TACC Ranger

From: Arturas Ziemys (
Date: Thu Aug 28 2008 - 11:25:14 CDT


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


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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