Running CDFT Tutorial Calculation on Cluster

Brian Day 22b... at gmail.com
Thu Aug 9 18:51:08 CEST 2018


Actually, the error message is slightly different, see below:

forrtl: severe (174): SIGSEGV, segmentation fault occurred

Image              PC                Routine            Line        Source

cp2k.popt          000000000D730E14  Unknown               Unknown  Unknown

libpthread-2.17.s  00002ABEBC47F5E0  Unknown               Unknown  Unknown

libmpi.so.12   00002ABEBD7DA1BA  PMPI_File_write_a     Unknown  Unknown

libmpifort.so.12.  00002ABEBCF2F1AE  pmpi_file_write_a     Unknown  Unknown

cp2k.popt          0000000002F17BCC  message_passing_m        3315  
message_passing.F

cp2k.popt          0000000002A33AFC  realspace_grid_cu         698  
realspace_grid_cube.F

cp2k.popt          0000000002A31F4D  realspace_grid_cu         211  
realspace_grid_cube.F

cp2k.popt          0000000000A06F9D  cp_realspace_grid          64  
cp_realspace_grid_cube.F

cp2k.popt          0000000000A9F32B  qs_scf_post_gpw_m        2651  
qs_scf_post_gpw.F

cp2k.popt          0000000000A883B1  qs_scf_post_gpw_m        2001  
qs_scf_post_gpw.F

cp2k.popt          0000000000EB6610  qs_scf_post_scf_m          70  
qs_scf_post_scf.F

cp2k.popt          00000000017A267F  qs_scf_mp_scf_            285  qs_scf.F

cp2k.popt          0000000000BA7709  qs_energy_mp_qs_e          86  
qs_energy.F

cp2k.popt          0000000000C52681  qs_force_mp_qs_ca         115  
qs_force.F

cp2k.popt          000000000096F4AA  force_env_methods         242  
force_env_methods.F

cp2k.popt          000000000043BCAC  cp2k_runs_mp_run_         323  
cp2k_runs.F

cp2k.popt          0000000000432814  MAIN__                    281  cp2k.F

cp2k.popt          000000000043151E  Unknown               Unknown  Unknown

libc-2.17.so   00002ABEBE194C05  __libc_start_main     Unknown  Unknown

cp2k.popt          0000000000431429  Unknown               Unknown  Unknown

Thanks again for all your help so far!

-Brian

On Thursday, August 9, 2018 at 12:49:45 PM UTC-4, Brian Day wrote:
>
> Hi Nico,
>
> Sorry for the long delayed reply, I had forgotten to check this thread for 
> some time! 
>
> ifort --version returns: ifort (IFORT) 17.0.04 20170411.
> Additionally, I get the same error message when I reduce the number of mpi 
> tasks to 4 (2 per node, 2 nodes).
>
> Best,
>      Brian
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180809/4b727158/attachment.html>


More information about the CP2K-user mailing list