[gmx-users] opnempi

[Stefano Guglielmo]

Dear gromacs users,

I am trying to compile gromacs 2016.5 with openmpi compilers installed on
my machine; here is the configuration command:

cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=on
-DGMX_MPI=on -DMPI_C_COMPILER=/usr/lib64/openmpi/bin/mpicc
-DMPI_CXX_COMPILER=/usr/lib64/openmpi/bin/mpicxx

compilation and installation end up correctly, but when trying to run
mdrun, gromacs still uses its own tMPI; how can I avoid tMPI and "force" to
MPI?

Thanks in advance
Stefano

-- 
Stefano GUGLIELMO PhD
Assistant Professor of Medicinal Chemistry
Department of Drug Science and Technology
Via P. Giuria 9
10125 Turin, ITALY
ph. +39 (0)11 6707178