[gmx-users] About Plumed+Gromacs+MPI

2018-12-01 Thread yong zhou
Dear all, I have compiled the plumed+gromacs with the following options CC=/usr/lib64/openmpi3/bin/mpicc FC=/usr/lib64/openmpi3/bin/mpif90 F77=/usr/lib64/openmpi3/bin/mpif90 CXX=/usr/lib64/openmpi3/bin/mpicxx CMAKE_PREFIX_PATH=//usr/lib64/openmpi3/ cmake3 .. -DGMX_BUILD_OWN_FFTW=on

[gmx-users] (no subject)

2018-12-01 Thread Soham Sarkar
Dear all, This is the error I get while executing the grompp command " Program grompp, VERSION 4.5.6 Source code file: topio.c, line: 582 Fatal error: Syntax error - File tris.itp, line 19 Last line read: ' #error CORRECT VERSION OF FORCE FIELD [TPPREV_jun16] WAS NOT " I gave the command