Difference between revisions of "MPQC"
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Revision as of 01:46, 7 March 2012
Background
| Link | Code | Version | Machine | Date |
|---|---|---|---|---|
| website | mercurial repo | 2.4 (9473:303f10b7032c tip) | Keeneland | March 2012 |
Build MPQC
modules loaded:
- PE-intel
- intel/2011_sp1.8.273
- openmpi/1.5.1-intel
- mkl/2011_sp1.8.273
- lapack//3.0-37.el5
make configure mkdir build ; cd build export TAU_MAKEFILE=<path to TAU>/x86_64/lib/Makefile.tau-icpc-mpi-pdt export TAU_OPTIONS='-optCompInst -optRevert' ../configure --enable-always-use-mpi --prefix=`pwd` --with-cc=tau_cc.sh --with-cxx=tau_cxx.sh --with-f77=tau_f90.sh export TAU_OPTIONS='-optVerbose -optRevert' make all install
(if you run into problems with MPQC's own string.h, just remove {{{-I<root>/src/lib/utils/misc}}} from the command line).
Running MPQC
I pulled an input.C file from http://www.psc.edu/general/software/packages/mpqc/bigben/index.php placing it in a new example directory.
cd example tau_exec ../build/bin/mpqc input.C
Performance Data
