Hi, It needs to be on its own line prior to the void. What will be in next version of GROMACS (2019.6 and 2020.1) is: https://gerrit.gromacs.org/c/gromacs/+/15218/4/src/gromacs/pulling/pullutil.cpp
You don't need the #ifdef/#endif if you only care about compiling with ICC. Roland > -----Original Message----- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> On Behalf Of > Cardenas, Alfredo E > Sent: Friday, January 10, 2020 12:00 PM > To: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: [gmx-users] Need help with installation of Gromacs-2019.3 with > Intell compilers > > Hi Roland and others gmx-users, > I am also getting a similar compilation error regarding pullutil.cpp: > > icpc: error #10106: Fatal error in > /opt/intel/compilers_and_libraries_2019.5.281/linux/bin/intel64/mcpcom, > terminated by floating point exception compilation aborted for > /home1/01247/alfredo/Software/gromacs- > 2019.4/src/gromacs/pulling/pullutil.cpp (code 1) > make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o] > Error 1 > make[2]: *** Waiting for unfinished jobs.... > make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2 > make: *** [all] Error 2 > > using optimization for AVX512. I saw this post where you suggested a work- > around adding "#pragma intel optimization_level 2" in front of > pull_calc_coms. I see the line in pullutil.cpp: > > void pull_calc_coms(const t_commrec *cr, > pull_t *pull, > const t_mdatoms *md, > t_pbc *pbc, > double t, > const rvec x[], rvec *xp) { > > I tried putting the pragma before void and it gave me a bunch of errors. > Where exactly should it be added? > Thanks, > > Alfredo > -- > 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. -- 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.