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At PL20 of Molpro2010.1, both GA5.0.2 with TCGMSG_MPI and GA5.0.2 withMPI work fine with Molpro. For previous patch level of Molpro2010.1, itmight not work with GA5.0.2 since at that time GA5.0.x might not bereleased yet.Here is an examples of builing Molpro2010.1 PL20 mpp version withicc/11.1.072, ifort/11.1.072, Intel MPI/4.0.0.025, Intel MKL/10.2.5.035,GA/5.0.2 TCGMSG-MPI:a) Build GA 5.0.2 TCGMSG-MPI with Intel MPI/4.0.0.025: ./configure --with-tcgmsg --with-mpi="-ldl-I/software/intel/mpi/4.0.0.025/intel64/include-L/software/intel/mpi/4.0.0.025/intel64/lib -lmpi -lmpigf -lmpigi -lpthread-lrt" --with-openib="/usr/lib64 -libverbs -I/usr/include/infiniband"F77=ifortCC=icc CXX=icpc --prefix=${GA_path}-install make make install make checkprogs mpd & mpiexec -np 4 ./global/testing/test.x mpdallexitb)build Molpro2010.1:./configure -batch -icc -ifort -blaspath/software/intel/mkl/10.2.5.035/lib/em64t -mpp -mppbase ${GA_path} -varLIBS="-libverbs"make
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