version 1.118 | version 1.119 |
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| NAMD 2.12b1 Release Notes | | | NAMD 2.12 Release Notes | |
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+--------------------------------------------------------------------+ | +--------------------------------------------------------------------+ |
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As an example, here is the build sequence for 64-bit Linux workstations: | As an example, here is the build sequence for 64-bit Linux workstations: |
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Unpack NAMD and matching Charm++ source code: | Unpack NAMD and matching Charm++ source code: |
tar xzf NAMD_2.12b1_Source.tar.gz | tar xzf NAMD_2.12_Source.tar.gz |
cd NAMD_2.12b1_Source | cd NAMD_2.12_Source |
tar xf charm-6.7.1.tar | tar xf charm-6.7.1.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): |
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cd ../../../../.. | cd ../../../../.. |
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Download and install TCL and FFTW libraries: | Download and install TCL and FFTW libraries: |
(cd to NAMD_2.12b1_Source if you're not already there) | (cd to NAMD_2.12_Source if you're not already there) |
wget http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz | wget http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz |
tar xzf fftw-linux-x86_64.tar.gz | tar xzf fftw-linux-x86_64.tar.gz |
mv linux-x86_64 fftw | mv linux-x86_64 fftw |
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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_2.12b1_Source) | (not needed if charm-6.7.1, 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) |