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

[Mark Abraham]

Hi,

Yes.
http://manual.gromacs.org/documentation/5.1/ReleaseNotes/removed-features.html#removed-temporary-symlinks-from-pre-5-0-tool-names

Mark

On Sun, Sep 4, 2016 at 3:19 PM Atila Petrosian <atila.petrosian at gmail.com>
wrote:

> Dear Mark,
>
> Thanks for the guidance.
>
> I updated gcc using your proposed link (https://ed.braaten.net/blog/
> 2014-05-28-devtools-for-centos/
> <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
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