[gmx-users] Building gromacs 5.1.1: doesn't build all programs like grompp

[Stephen Cousins]

Hi,

I'm trying to build gromacs and I have used the instructions as best as I
can but I can never get programs like grompp to build. Here is what I'm
doing:

   mkdir build
   cd build
   cmake .. -DGMX_X11=OFF
-DCMAKE_INSTALL_PREFIX=/opt/centos7/gromacs/5.1.1-openmpi-gnu
-DBUILD_SHARED_LIBS=OFF -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=OFF -DGMX_MPI=OFF
 -DGMX_BUILD_MDRUN_ONLY=ON
   make -j 10 all
   make install

This makes mdrun. If I take off the last switch then it also builds gmx and
templates. Here is what I get in the bin directory:


-rwxr-xr-x 1 root root     3378 Jun 22 09:17 demux.pl
-rwxr-xr-x 1 root root 18037512 Nov 17 01:16 gmx
-rw-r--r-- 1 root root   149710 Nov  9 06:04 gmx-completion.bash
-rw-r--r-- 1 root root       37 Nov 17 01:13 gmx-completion-gmx.bash
-rw-r--r-- 1 root root       41 Nov 17 17:49 gmx-completion-gmx_mpi.bash
-rw-r--r-- 1 root root       45 Nov 17 17:57 gmx-completion-mdrun.bash
-rw-r--r-- 1 root root       49 Nov 17 17:54 gmx-completion-mdrun_mpi.bash
-rwxr-xr-x 1 root root 17703540 Nov 17 17:53 gmx_mpi
-rwxr-xr-x 1 root root      606 Nov 17 17:49 GMXRC
-rwxr-xr-x 1 root root     2764 Nov 17 17:49 GMXRC.bash
-rwxr-xr-x 1 root root     3015 Nov 17 17:49 GMXRC.csh
-rwxr-xr-x 1 root root      138 Nov 17 17:49 GMXRC.zsh
-rwxr-xr-x 1 root root 12481020 Nov 17 17:58 mdrun
-rwxr-xr-x 1 root root 12541049 Nov 17 17:55 mdrun_mpi
-rwxr-xr-x 1 root root     8217 Jun 22 09:17 xplor2gmx.pl

​This is after turning MPI on too.

In an older system when I did this I got over 200 programs. Can you please
help me figure out what I'm doing wrong?

Thanks,

Steve
-- 
________________________________________________________________
 Steve Cousins             Supercomputer Engineer/Administrator
 Advanced Computing Group            University of Maine System
 244 Neville Hall (UMS Data Center)              (207) 561-3574
 Orono ME 04469                      steve.cousins at maine.edu