intel (and other) compiler related hacks for cp2k

akohlmey akoh... at gmail.com
Wed Jul 4 23:37:04 CEST 2007


hi everybody,

for people that have for one reason or another trouble compiling cp2k
with the intel compilers, i've just uploaded my current set of
modifications
to cp2k to make it work more reliably with intel compilers on linux.

tested successfully (QuickStep and QM/MM) against:
intel fortran 9.1- 20061101, x86_64 serial and with OpenMPI-1.2.,
mkl-9.0
intel fortran 9.0- 20051020, x86_64 serial and with MPICH-
GM-1.2.6..14b, OpenMPI-1.2.0, mkl-8.0
PGI-7.0.4 x86_64, with UNICOS/lc 1.5.47 (Cray XT3), acml-3.6.1
IBM xlf 10.1 for BG/L OS-V1R3M2

http://cp2k.googlegroups.com/web/cp2k-ak-intel-hacks.diff.gz

hope this is helpful.

cheers,
   axel.




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