From: Terry Frankcombe (terry_at_[hidden])
Date: 2007-05-10 08:52:20
I have previously been running parallel VASP happily with an old,
prerelease version of OpenMPI:
[terry_at_nocona Vasp.4.6-OpenMPI]$
head /home/terry/Install_trees/OpenMPI-1.0rc6/config.log
This file contains any messages produced by compilers while
running configure, to aid debugging if configure makes a mistake.
It was created by Open MPI configure 1.0rc6, which was
generated by GNU Autoconf 2.59. Invocation command line was
$ ./configure --enable-static --disable-shared
--prefix=/home/terry/bin/Local --enable-picky --disable-heterogeneous
--without-libnuma --without-slurm --without-tm F77=ifort
In my VASP makefile:
FC=/home/terry/bin/Local/bin/mpif90
OFLAG= -O3 -xP -tpp7
CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DNGZhalf
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DMPI_BLOCK=500 -DRPROMU_DGEMV
-DRACCMU_DGEMV
FFLAGS = -FR -lowercase -assume byterecl
As far as I can see (it was a long time ago!) I didn't use BLACS or
SCALAPACK libraries. I used ATLAS.
Maybe this will help.
-- Dr Terry Frankcombe Physical Chemistry, Department of Chemistry Göteborgs Universitet SE-412 96 Göteborg Sweden Ph: +46 76 224 0887 Skype: terry.frankcombe <terry_at_[hidden]>