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
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