From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Jan 06 2011 - 16:55:03 CST
Hi!
Does anybody have experience compiling NAMD 2.7 with the PLUMED v1.2.2
patch? I have followed the directions:
1) build charm++ converse library: ./build charm++ mpi-linux-x86_64
--no-build-shared --with-production
2) Configure NAMD code: ./config Linux-x86_64-g++ --charm-arch
net-linux-x86_64
3) apply the patch: ./plumedpatch_namd_2.7.sh -patch
4) compile NAMD as usual: cd Linux-x86_64-g++ ; make
NAMD compiles correctly and the alanine benchmark runs fine.
However, when I try to run one of the PLUMED tests in the PLUMED package,
I get the error:
ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: plumedfile
ERROR: plumed
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
It looks like as if the PLUMED patch did not work. Can anybody with
experience compiling NAMD+PLUMED please help me?
Thank you very much!
Gianluca
-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
+1 (206) 685 4435
http://artemide.bioeng.washington.edu/
Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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