[molpro-user] compiling molpro with mpi support

Nick Wilson WilsonNT at Cardiff.ac.uk
Thu Jun 29 11:48:35 BST 2006

Unresolved symbol gat_bcast_ was fixed by removing gatools from FTCFLAGS 

Best wishes,

Martin Weise wrote:
> 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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