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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. | ||
| + | |||
| + | == 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=$LD_LIBRARY_PATH:/opt/sharcnet/intel/12.1.3/icc/composer_xe_2011_sp1.9.293/compiler/lib/intel64 | ||
| + | cd mpi-linux-x86_64/tests/charm++/megatest | ||
| + | make pgm | ||
| + | mpirun -n 4 ./pgm | ||
| + | cd ../../../../.. | ||
| + | |||
| + | Download and install TCL and FFTW libraries: | ||
| + | (working in NAMD source directory) | ||
| + | wget http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz | ||
| + | tar xzf fftw-linux-x86_64.tar.gz | ||
| + | mv linux-x86_64 fftw | ||
| + | wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64.tar.gz | ||
| + | wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64-threaded.tar.gz | ||
| + | tar xzf tcl8.5.9-linux-x86_64.tar.gz | ||
| + | tar xzf tcl8.5.9-linux-x86_64-threaded.tar.gz | ||
| + | mv tcl8.5.9-linux-x86_64 tcl | ||
| + | mv tcl8.5.9-linux-x86_64-threaded tcl-threaded | ||
Revision as of 12:04, 6 September 2012
Pawel Pomorski
High Performance Computing Programming Specialist
University of Waterloo
Software which I help maintain
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This wiki has 6,532 users, among them 0 active users (users who performed an action within last 91 days). The total number of page edits is 19,165. The total number of page views is Template:NUMBEROFVIEWS. There are 498 pages and 415 articles.
NAMD instructions
This compile was tested on monk using default settings on Sept. 6, 2012.
tar xvfz NAMD_2.9_Source.tar.gz cd NAMD_2.9_Source
Compile and test charm
tar xvf charm-6.4.0.tar cd charm-6.4.0 env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --no-build-shared --with-production export LD_LIBRARY_PATH=$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