Re: [gmx-users] Error: Cannot find AVX 512F compiler flag
On Wed, Jan 15, 2020 at 08:50:46AM +, Shlomit Afgin wrote: > > Hi, > I tried to install GROMACS 2019.5 on CentOS7, > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON > > I have already installed devtoolset-6 and still get this error: installed, but not using it? [tru@elitebook840g3 ~]$ type gcc gcc is /usr/bin/gcc [tru@elitebook840g3 ~]$ scl enable devtoolset-6 bash [tru@elitebook840g3 ~]$ type gcc gcc is /opt/rh/devtoolset-6/root/usr/bin/gcc Tru -- Tru Huynh (PhD) | mailto:t...@pasteur.fr | tel +33 1 45 68 87 37 https://research.pasteur.fr/en/team/structural-bioinformatics/ Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France -- 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-requ...@gromacs.org.
Re: [gmx-users] AVX related compiler error during build with P100 RHEL7
On Mon, Nov 06, 2017 at 04:41:08PM -0800, Guyen Gn wrote: > Getting back to this thread after a while, is this the name of package?: > rpmdevtools.noarch 8.3-5.el7 Server > Red Hat Enterprise Linux Server release 7.3 (Maipo) > > I see it is included in the RH7.3 That's not the devtoolset... > Thanks., > AFAIK, RHEL is now as 7.4 unless you have an specific subscription to stay on a point release. You can get newer GCC toolchain with the Red Hat Developer Toolset https://developers.redhat.com/products/developertoolset/overview/ The latest version devtoolset-7-toolchain provides gcc version 7.2. https://www.softwarecollections.org/en/scls/rhscl/devtoolset-7/ RHEL: sudo yum-config-manager --enable rhel-server-rhscl-7-rpms sudo yum install devtoolset-7 CentOS: yum install centos-release-scl-rh && yum install devtoolset-7 of course, you can try devtoolset-4/devtoolset-6 to match your needs. Cheers Tru -- Dr Tru Huynh | mailto:t...@pasteur.fr | tel/fax +33 1 45 68 87 37/19 https://research.pasteur.fr/en/team/structural-bioinformatics/ Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France -- 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-requ...@gromacs.org.
Re: [gmx-users] gmx 5.0 installation with cuda
On Fri, Jul 10, 2015 at 07:10:46PM +0900, Raju wrote: Dear all, I have installed cuda driver 7.0 in centos6.6 version has default gcc 4.4.7. After the successful installation of cuda, i tried to install gmx 5.0.5 and found that gmx 5.0.5 version needs over gcc 4.6. Therefore, i updated gcc 4.4 to 4.7 through devtoolset. When i try to install the gmx through following commands i gets following errors. you need the corresponding devtoolset-*-binutils devtoolset-2-gcc-4.8.2-15.el6.x86_64 and devtoolset-2-binutils-2.23.52.0.1-10.el6.x86_64 caveat in later version of devtoolset-1.x|2 change /opt/centos to /opt/rh btw, I haven't check which gcc version is supported with cuda-7.0... regards, Tru -- Dr Tru Huynh | http://www.pasteur.fr/research/bis mailto:t...@pasteur.fr | tel/fax +33 1 45 68 87 37/19 Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France -- 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-requ...@gromacs.org.
