Difference between revisions of "MPQC"
(→Build MPQC) |
(→Build MPQC) |
||
| Line 38: | Line 38: | ||
make install | make install | ||
| − | (if you run into problems with MPQC's own string.h, just | + | (if you run into problems with MPQC's own string.h, just force it MPQC's own string.h to include the system string.h, ie: |
| + | #include</usr/include/string.h> | ||
| + | ). | ||
== Running MPQC == | == Running MPQC == | ||
Revision as of 23:13, 21 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
- gcc/4.40
make configure mkdir build ; cd build export TAU_MAKEFILE=<path to TAU>/x86_64/lib/Makefile.tau-icpc-pthread-pdt export TAU_OPTIONS='-optRevert -optVerbose -optShared' ../configure --disable-mpi --prefix=`pwd` --with-cc=tau_cc.sh --with-cxx=tau_cxx.sh --with-f77=tau_f90.sh make make install
(if you run into problems with MPQC's own string.h, just force it MPQC's own string.h to include the system string.h, ie:
#include</usr/include/string.h>
).
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.
export TAU_VERBOSE=1 cd example tau_exec ../build/bin/mpqc input.C
Performance Data
