<div dir="ltr">Actually, the error message is slightly different, see below:<div><br></div><div>
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<p class="p1"><span class="s1">forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></p>
<p class="p1"><span class="s1">Image<span class="Apple-converted-space"> </span>PC<span class="Apple-converted-space"> </span>Routine<span class="Apple-converted-space"> </span>Line<span class="Apple-converted-space"> </span>Source</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>000000000D730E14<span class="Apple-converted-space"> </span>Unknown <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p>
<p class="p1"><span class="s1">libpthread-2.17.s<span class="Apple-converted-space"> </span>00002ABEBC47F5E0<span class="Apple-converted-space"> </span>Unknown <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p>
<p class="p1"><span class="s1">libmpi.so.12<span class="Apple-tab-span"> </span> <span class="Apple-converted-space"> </span>00002ABEBD7DA1BA<span class="Apple-converted-space"> </span>PMPI_File_write_a <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p>
<p class="p1"><span class="s1">libmpifort.so.12.<span class="Apple-converted-space"> </span>00002ABEBCF2F1AE<span class="Apple-converted-space"> </span>pmpi_file_write_a <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000002F17BCC<span class="Apple-converted-space"> </span>message_passing_m<span class="Apple-converted-space"> </span>3315<span class="Apple-converted-space"> </span>message_passing.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000002A33AFC<span class="Apple-converted-space"> </span>realspace_grid_cu <span class="Apple-converted-space"> </span>698<span class="Apple-converted-space"> </span>realspace_grid_cube.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000002A31F4D<span class="Apple-converted-space"> </span>realspace_grid_cu <span class="Apple-converted-space"> </span>211<span class="Apple-converted-space"> </span>realspace_grid_cube.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000A06F9D<span class="Apple-converted-space"> </span>cp_realspace_grid<span class="Apple-converted-space"> </span>64<span class="Apple-converted-space"> </span>cp_realspace_grid_cube.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000A9F32B<span class="Apple-converted-space"> </span>qs_scf_post_gpw_m<span class="Apple-converted-space"> </span>2651<span class="Apple-converted-space"> </span>qs_scf_post_gpw.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000A883B1<span class="Apple-converted-space"> </span>qs_scf_post_gpw_m<span class="Apple-converted-space"> </span>2001<span class="Apple-converted-space"> </span>qs_scf_post_gpw.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000EB6610<span class="Apple-converted-space"> </span>qs_scf_post_scf_m<span class="Apple-converted-space"> </span>70<span class="Apple-converted-space"> </span>qs_scf_post_scf.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>00000000017A267F<span class="Apple-converted-space"> </span>qs_scf_mp_scf_<span class="Apple-converted-space"> </span>285<span class="Apple-converted-space"> </span>qs_scf.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000BA7709<span class="Apple-converted-space"> </span>qs_energy_mp_qs_e<span class="Apple-converted-space"> </span>86<span class="Apple-converted-space"> </span>qs_energy.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000C52681<span class="Apple-converted-space"> </span>qs_force_mp_qs_ca <span class="Apple-converted-space"> </span>115<span class="Apple-converted-space"> </span>qs_force.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>000000000096F4AA<span class="Apple-converted-space"> </span>force_env_methods <span class="Apple-converted-space"> </span>242<span class="Apple-converted-space"> </span>force_env_methods.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>000000000043BCAC<span class="Apple-converted-space"> </span>cp2k_runs_mp_run_ <span class="Apple-converted-space"> </span>323<span class="Apple-converted-space"> </span>cp2k_runs.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000432814<span class="Apple-converted-space"> </span>MAIN__<span class="Apple-converted-space"> </span>281<span class="Apple-converted-space"> </span>cp2k.F</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>000000000043151E<span class="Apple-converted-space"> </span>Unknown <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p>
<p class="p1"><span class="s1">libc-2.17.so<span class="Apple-tab-span"> </span> <span class="Apple-converted-space"> </span>00002ABEBE194C05<span class="Apple-converted-space"> </span>__libc_start_main <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p>
<p class="p1"><span class="s1">cp2k.popt<span class="Apple-converted-space"> </span>0000000000431429<span class="Apple-converted-space"> </span>Unknown <span class="Apple-converted-space"> </span>Unknown<span class="Apple-converted-space"> </span>Unknown</span></p><div><br></div>Thanks again for all your help so far!</div><div><br></div><div>-Brian</div><div><br>On Thursday, August 9, 2018 at 12:49:45 PM UTC-4, Brian Day wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi Nico,<div><br></div><div>Sorry for the long delayed reply, I had forgotten to check this thread for some time! </div><div><br></div><div>ifort --version returns: ifort (IFORT) 17.0.04 20170411.</div><div>Additionally, I get the same error message when I reduce the number of mpi tasks to 4 (2 per node, 2 nodes).</div><div><br></div><div>Best,</div><div> Brian</div></div></blockquote></div></div>