Difference between revisions of "MPQC"
(→Build MPQC) |
(→Build MPQC) |
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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