Starting to answer myself, I did this test with a custom compiled version of
apbs:
~/Programmes/apbs-1.1.0-source% ./configure --enable-fast
--with-openmpi=/usr
make all
cd examples/actin-dimer
/usr/bin/mpirun -c 8 ../../bin/apbs apbs-mol-parallel.in
WORKED!
Than I realise that --with-openmpi=
Felix Frolow wrote:
Recently, doing update o software using FINK I get:
[adsl-mbfrolow:~] mbfrolow% sudo fink selfupdate
rsync -az -q rsync://msn.wi.us.finkmirrors.net/finkinfo//TIMESTAMP /
sw/fink/TIMESTAMP.tmp
@ERROR: chroot failed
[]
Choosing another site
rsync -az -q
Yep,
I did some tests and found out that to have xgrid support I need to
have --disable-static. So I did in openmpi.info and it compiled and
installed OK.
But when I went to test...
/sw/bin/om-mpirun -c 2 mpiapp
[amadeus.local:38063] [[2798,0],0] ORTE_ERROR_LOG: Unknown error: 1 in file
Alan,
I have uploaded a first pass of new apbs-mpi
packaging which builds apbs properly against openmpi.
It probably still needs work to make compatible with
the lammpi variant. The packaging is on fink tracking
at...
