[gmx-users] errors during installation

[Mark Abraham]

Hi,

You've chosen a debug build, so it's super slow and the tests are probably
so slow they are timing out. Do a release build, like the install guide
suggests.

Mark


On Fri., 28 Jun. 2019, 15:34 kalpana, <kalpanadynasty at gmail.com> wrote:

> Hi everyone,
> I had to reinstall gromacs and now I getting following errors during make
> check with provided settings. Kindly suggest better settings with which I
> could run mdrun faster becz my previous installations was with same
> settings but was very slow (mdrun -deffnm md_0_1 -ntmpi 2 -ntomp 6 -pin on
> -v).
>
> sudo cmake .. -DGMX_BUILD_OWN_FFTW=OFF -DREGRESSIONTEST_DOWNLOAD=OFF
> -DCMAKE_C_COMPILER=gcc -DGMX_SIMD=AVX_512 -DGMX_GPU=ON -DGMX_MPI=ON
> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DGMX_USE_RDTSCP=ON
> -DGMX_FFT_LIBRARY=fftw3 -DCMAKE_BUILD_TYPE=Debug
> -DREGRESSIONTEST_PATH=/Downloads/gromacs/regressiontests-2019.3
>
>
> [image: image.png]
>
>
> Thanks & regards,
> Kalpana
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.