[gmx-users] CMake Error at cmake/gmxManageSimd.cmake:67 (message): Found a compiler flag for AVX2 support, but some other problem exists.

[Atila Petrosian]

Dear Mark,

Thanks for the guidance.

I updated gcc using your proposed link (https://ed.braaten.net/blog/
2014-05-28-devtools-for-centos/).

Now my Rocks cluster system has following info:

Rocks 6.2
CentOS 6.6
Cuda 7.5 and 8 (/usr/local/cuda)
gcc 4.8.2

I installed gromacs 5.1.3 based on following link:  gromacs
http://manual.gromacs.org/documentation/5.1.3/dev-manual/testutils.html

I used the following commands:

cd gromacs-5.1.3
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=ON
-DGMX_GPU=ON
make
make check
make install
source /usr/local/gromacs/bin/GMXRC

*There is no error in above command.*

Thera are following files in /usr/local/gromacs/bin directory:

demux.pl
gmx-completion.bash
gmx-completion-gmx_mpi.bash
gmx_mpi
GMXRC
GMXRC.bash
GMXRC.csh
GMXRC.zsh
xplor2gmx.pl

Is my gromacs installation on GPU true?

The reason of my question is that when I had installed gromacs 5.0.5 as
parallel (-DGMX_MPI=ON) on another Rocks system, there were following files
in /usr/local/gromacs/bin directory:

demux.pl
do_dssp -> gmx
editconf -> gmx
eneconv -> gmx
g_anadock -> gmx
g_anaeig -> gmx
g_analyze -> gmx
g_angle -> gmx
g_bar -> gmx
g_bond -> gmx
g_bundle -> gmx
g_chi -> gmx
g_cluster -> gmx
g_clustsize -> gmx
g_confrms -> gmx
g_covar -> gmx
g_current -> gmx
g_density -> gmx
g_densmap -> gmx
g_densorder -> gmx
g_dielectric -> gmx
g_dipoles -> gmx
g_disre -> gmx
g_dist -> gmx
g_dos -> gmx
g_dyecoupl -> gmx
g_dyndom -> gmx
genbox -> gmx
genconf -> gmx
g_enemat -> gmx
g_energy -> gmx
genion -> gmx
genrestr -> gmx
g_filter -> gmx
g_gyrate -> gmx
g_h2order -> gmx
g_hbond -> gmx
g_helix -> gmx
g_helixorient -> gmx
g_hydorder -> gmx
g_lie -> gmx
g_mdmat -> gmx
g_mindist -> gmx
g_morph -> gmx
g_msd -> gmx
gmx
gmxcheck -> gmx
gmx-completion.bash
gmx-completion-gmx.bash
gmx-completion-gmx_mpi.bash
gmxdump -> gmx
gmx_mpi
GMXRC
GMXRC.bash
GMXRC.csh
GMXRC.zsh
g_nmeig -> gmx
g_nmens -> gmx
g_nmtraj -> gmx
g_options -> gmx
g_order -> gmx
g_pme_error -> gmx
g_polystat -> gmx
g_potential -> gmx
g_principal -> gmx
g_protonate -> gmx
g_rama -> gmx
g_rdf -> gmx
g_rms -> gmx
g_rmsdist -> gmx
g_rmsf -> gmx
grompp -> gmx
g_rotacf -> gmx
g_rotmat -> gmx
g_saltbr -> gmx
g_sans -> gmx
g_sas -> gmx
g_saxs -> gmx
g_select -> gmx
g_sgangle -> gmx
g_sham -> gmx
g_sigeps -> gmx
g_sorient -> gmx
g_spatial -> gmx
g_spol -> gmx
g_tcaf -> gmx
g_traj -> gmx
g_tune_pme -> gmx
g_vanhove -> gmx
g_velacc -> gmx
g_wham -> gmx
g_wheel -> gmx
g_x2top -> gmx
make_edi -> gmx
make_ndx -> gmx
md.log
mdrun -> gmx
mk_angndx -> gmx
pdb2gmx -> gmx
tpbconv -> gmx
trjcat -> gmx
trjconv -> gmx
trjorder -> gmx
xplor2gmx.pl
xpm2ps -> gmx

My main goal is to install gromacs on gpu.

Please guide me.

Best,
Atila