| version 1.118 | version 1.119 |
|---|
| |
| +--------------------------------------------------------------------+ | +--------------------------------------------------------------------+ |
| | | | | | |
| | NAMD 2.12b1 Release Notes | | | NAMD 2.12 Release Notes | |
| | | | | | |
| +--------------------------------------------------------------------+ | +--------------------------------------------------------------------+ |
| | |
| |
| 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: |
| | |
| 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 |
| | |
| Build and test the Charm++/Converse library (single-node multicore version): | Build and test the Charm++/Converse library (single-node multicore version): |
| |
| cd ../../../../.. | cd ../../../../.. |
| | |
| 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 |
| |
| mv tcl8.5.9-linux-x86_64-threaded tcl-threaded | mv tcl8.5.9-linux-x86_64-threaded tcl-threaded |
| | |
| 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) |