[molpro-user] compiling molpro with mpi support

[Martin Weise]

Hi

I have a question about compiling molpro with mpi support.
As mentioned in the installtion documentation, I donwloaded GA-4.0.
To be able to use MPI I also compiled MPICH-1.2.7p1. and then
GA-4.0. Both with the Intel-9.0 Compiler.

So when compiling molpro I get an linking error and I am stuck with this.
So this is the error message:

/opt/app/intel/bin/ifort -pc 64 -auto -autodouble -Vaxlib -i8 -I./global -w -O3
-Wl,-rpath,/opt/app/intel/lib -o
/clusterraid/vol1/weise/molpro-src/molpro2006.1/source/bin/molprop_2006_1_i8_mpi.exe
molver.o molpro.o -L/clusterraid/vol1/weise/molpro-src/molpro2006.1/source/lib
-lmolpro -L./lib -lglobal -ltcgmsg-mpi -lmpich -lma -lpario -larmci -lgks0
-L./lib -lglobal -ltcgmsg-mpi -lmpich -lma -lpario -larmci -lz
IPO Error: unresolved : gat_bcast_
        Referenced in libmolpro.a(globalop.o)
IPO Error: unresolved : _F90_STOP
        Referenced in libgks0.a(gopks.o)
/clusterraid/vol1/weise/molpro-src/molpro2006.1/source/lib/libmolpro.a(globalop.o)(.text+0x17ed):
In function `global_brdcst_':
: undefined reference to `gat_bcast_'
/clusterraid/vol1/weise/molpro-src/molpro2006.1/source/lib/libgks0.a(gopks.o)(.text+0x13):
In function `gopks_':
: undefined reference to `_F90_STOP'

It is not clear to me, why there is an unresolved reference, as mpich and ga
both compiled fine, and >make check< also did not raise an error.

The system I am trying to compile on is a Red Hat Linux on a Opteron Cluster.
As mentioned above, I am using the Intel Compiler 9.0, GA-4.0, MPICH-1.2.7p1 and
molpro-2006.1.

Regards
 Martin Weise

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