search

biklooost / PROPhet

PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
GNU General Public License v3.0
64 stars 26 forks source link

gvectors printing fails #13

Open danielsauceda opened 6 years ago

danielsauceda commented 6 years ago

The print_gvectors fails with a segmentation fault.

adding print_gvector = true to the input file results in a crash shown below

danielsauceda@xxxx:~/TAMU_Git_Repos/PROPhet/doc/tutorial$ ./PROPhet -in input_train -train
--------------------------------------------------------------------------
[[23760,1],0]: A high-performance Open MPI point-to-point messaging module
was unable to find any relevant network interfaces:

Module: OpenFabrics (openib)
  Host: 

Another transport will be used instead, although this may result in
lower performance.
--------------------------------------------------------------------------

_____________________________________      _____       
___/ __ \__/ __ \_/ __ \__/ __ \__/ /________/ /_   
__/ /_/ /_/ /_/ // / / /_/ /_/ /_/ __ \/ _ \/ __/   
_/ ____/_/ _, _// /_/ /_/ ____/_/ / / /  __/ /_     
/_/     /_/ |_| \____/ /_/     /_/ /_/\___/\__/     

run on:  Thu May 24 13:23:30 2018

random seed =  1527186210

Found data block

   code --> vasp
[xxxxx:06155] *** Process received signal ***
[xxxxx:06155] Signal: Segmentation fault (11)
[xxxxx:06155] Signal code: Address not mapped (1)
[xxxxx:06155] Failing at address: 0x21
[xxxxx:06155] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7f8d89e7a4b0]
[xxxxx:06155] [ 1] ./PROPhet[0x443811]
[xxxxx:06155] [ 2] ./PROPhet[0x447d31]
[xxxxx:06155] [ 3] ./PROPhet[0x40d54a]
[xxxxx:06155] [ 4] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f8d89e65830]
[xxxxx:06155] [ 5] ./PROPhet[0x40e129]
[xxxxx:06155] *** End of error message ***
Segmentation fault (core dumped)