version 1.120 | version 1.121 |
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Unpack NAMD and matching Charm++ source code: | Unpack NAMD and matching Charm++ source code: |
tar xzf NAMD_2.12_Source.tar.gz | tar xzf NAMD_2.12_Source.tar.gz |
cd NAMD_2.12_Source | cd NAMD_2.12_Source |
tar xf charm-6.7.1.tar | tar xf charm-6.8.0-beta1.tar |
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Build and test the Charm++/Converse library (single-node multicore version): | Build and test the Charm++/Converse library (single-node multicore version): |
cd charm-6.7.1 | cd charm-6.8.0-beta1 |
./build charm++ multicore-linux64 --with-production | ./build charm++ multicore-linux64 --with-production |
cd multicore-linux64/tests/charm++/megatest | cd multicore-linux64/tests/charm++/megatest |
make pgm | make pgm |
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cd ../../../../.. | cd ../../../../.. |
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Build and test the Charm++/Converse library (ethernet version): | Build and test the Charm++/Converse library (ethernet version): |
cd charm-6.7.1 | cd charm-6.8.0-beta1 |
./build charm++ netlrts-linux-x86_64 --with-production | ./build charm++ netlrts-linux-x86_64 --with-production |
cd netlrts-linux-x86_64/tests/charm++/megatest | cd netlrts-linux-x86_64/tests/charm++/megatest |
make pgm | make pgm |
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cd ../../../../.. | cd ../../../../.. |
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Build and test the Charm++/Converse library (InfiniBand version): | Build and test the Charm++/Converse library (InfiniBand version): |
cd charm-6.7.1 | cd charm-6.8.0-beta1 |
./build charm++ verbs-linux-x86_64 --with-production | ./build charm++ verbs-linux-x86_64 --with-production |
cd verbs-linux-x86_64/tests/charm++/megatest | cd verbs-linux-x86_64/tests/charm++/megatest |
make pgm | make pgm |
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cd ../../../../.. | cd ../../../../.. |
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Build and test the Charm++/Converse library (MPI version): | Build and test the Charm++/Converse library (MPI version): |
cd charm-6.7.1 | cd charm-6.8.0-beta1 |
env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --with-production | env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --with-production |
cd mpi-linux-x86_64/tests/charm++/megatest | cd mpi-linux-x86_64/tests/charm++/megatest |
make pgm | make pgm |
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mv tcl8.5.9-linux-x86_64-threaded tcl-threaded | mv tcl8.5.9-linux-x86_64-threaded tcl-threaded |
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Optionally edit various configuration files: | Optionally edit various configuration files: |
(not needed if charm-6.7.1, fftw, and tcl are in NAMD_2.12_Source) | (not needed if charm-6.8.0-beta1, fftw, and tcl are in NAMD_2.12_Source) |
vi Make.charm (set CHARMBASE to full path to charm) | vi Make.charm (set CHARMBASE to full path to charm) |
vi arch/Linux-x86_64.fftw (fix library name and path to files) | vi arch/Linux-x86_64.fftw (fix library name and path to files) |
vi arch/Linux-x86_64.tcl (fix library version and path to TCL files) | vi arch/Linux-x86_64.tcl (fix library version and path to TCL files) |
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contains a directory with the name of the platform. These libraries | contains a directory with the name of the platform. These libraries |
don't change very often, so you should find a permanent home for them. | don't change very often, so you should find a permanent home for them. |
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Unpack the NAMD source code and the enclosed charm-6.7.1.tar archive. This | Unpack the NAMD source code and the enclosed charm-6.8.0-beta1.tar archive. This |
version of Charm++ is the same one used to build the released binaries | version of Charm++ is the same one used to build the released binaries |
and is more likely to work and be bug free than any other we know of. | and is more likely to work and be bug free than any other we know of. |
Edit Make.charm to point at .rootdir/charm-6.7.1 or the full path to the | Edit Make.charm to point at .rootdir/charm-6.8.0-beta1 or the full path to the |
charm directory if you unpacked outside of the NAMD source directory. | charm directory if you unpacked outside of the NAMD source directory. |
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Run the config script without arguments to list the available builds, | Run the config script without arguments to list the available builds, |