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This wiki has {{NUMBEROFUSERS}} users, among them {{NUMBEROFACTIVEUSERS}} active users (users who performed an action within last 91 days).  The total number of page edits is {{NUMBEROFEDITS}}. The total number of page views is {{NUMBEROFVIEWS}}. There are {{NUMBEROFPAGES}} pages and {{NUMBEROFFILES}} articles.
 
This wiki has {{NUMBEROFUSERS}} users, among them {{NUMBEROFACTIVEUSERS}} active users (users who performed an action within last 91 days).  The total number of page edits is {{NUMBEROFEDITS}}. The total number of page views is {{NUMBEROFVIEWS}}. There are {{NUMBEROFPAGES}} pages and {{NUMBEROFFILES}} articles.
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== NAMD instructions ==
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This compile was tested on monk using default settings on Sept. 6, 2012.
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tar xvfz NAMD_2.9_Source.tar.gz
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cd NAMD_2.9_Source
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Compile and test charm
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tar xvf charm-6.4.0.tar
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cd charm-6.4.0
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env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --no-build-shared --with-production
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/sharcnet/intel/12.1.3/icc/composer_xe_2011_sp1.9.293/compiler/lib/intel64
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cd mpi-linux-x86_64/tests/charm++/megatest
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make pgm
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mpirun -n 4 ./pgm
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cd ../../../../..
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Download and install TCL and FFTW libraries:
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(working in NAMD source directory)
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  wget http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz
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  tar xzf fftw-linux-x86_64.tar.gz
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  mv linux-x86_64 fftw
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  wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64.tar.gz
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  wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64-threaded.tar.gz
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  tar xzf tcl8.5.9-linux-x86_64.tar.gz
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  tar xzf tcl8.5.9-linux-x86_64-threaded.tar.gz
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  mv tcl8.5.9-linux-x86_64 tcl
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  mv tcl8.5.9-linux-x86_64-threaded tcl-threaded

Revision as of 13:04, 6 September 2012

Pawel Pomorski

High Performance Computing Programming Specialist

University of Waterloo

User:Ppomorsk/Workspace

Software which I help maintain


Help Wiki stats

Wiki stats page is here.

This wiki has 6,516 users, among them 0 active users (users who performed an action within last 91 days). The total number of page edits is 19,165. The total number of page views is Template:NUMBEROFVIEWS. There are 498 pages and 415 articles.

NAMD instructions

This compile was tested on monk using default settings on Sept. 6, 2012.

tar xvfz NAMD_2.9_Source.tar.gz 
cd NAMD_2.9_Source

Compile and test charm

tar xvf charm-6.4.0.tar 
cd charm-6.4.0
env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --no-build-shared --with-production
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/sharcnet/intel/12.1.3/icc/composer_xe_2011_sp1.9.293/compiler/lib/intel64
cd mpi-linux-x86_64/tests/charm++/megatest
make pgm
mpirun -n 4 ./pgm
cd ../../../../..

Download and install TCL and FFTW libraries: (working in NAMD source directory)

 wget http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz
 tar xzf fftw-linux-x86_64.tar.gz
 mv linux-x86_64 fftw
 wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64.tar.gz
 wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64-threaded.tar.gz
 tar xzf tcl8.5.9-linux-x86_64.tar.gz
 tar xzf tcl8.5.9-linux-x86_64-threaded.tar.gz
 mv tcl8.5.9-linux-x86_64 tcl
 mv tcl8.5.9-linux-x86_64-threaded tcl-threaded