CP2K compiling on CRAYXC40 - cuda version using gnu compiler

Aman Jindal amanjin... at gmail.com
Tue Apr 12 12:13:54 CEST 2016


Dear CP2K users,
I am beginner on cp2k. I compiled cp2k-3.0 on CRAYXC40 cuda version using 
gnu compilers. While I am using the executable, cp2k.psmp to run cp2k jobs 
I got the following error:

Program received signal SIGILL: Illegal instruction.

Backtrace for this error:

Program received signal SIGILL: Illegal instruction.

Backtrace for this error:
#0  0x2AAAB4044467
#1  0x2AAAB4043660
#2  0x2AAAB4E8C91F
#3  0x1EE7C38 in __cp_units_MOD_cp_unit_create
#4  0x1A2E00E in __input_keyword_types_MOD_keyword_create
#5  0xB98758 in __eri_mme_test_MOD_create_eri_mme_test_section
#6  0x69D351 in __input_cp2k_MOD_create_cp2k_root_section
#7  0x4327C3 in MAIN__ at cp2k.F:?
#0  0x2AAAB4044467
#1  0x2AAAB4043660
#2  0x2AAAB4E8C91F
#3  0x1EE7C38 in __cp_units_MOD_cp_unit_create
#4  0x1A2E00E in __input_keyword_types_MOD_keyword_create
#5  0xB98758 in __eri_mme_test_MOD_create_eri_mme_test_section
#6  0x69D351 in __input_cp2k_MOD_create_cp2k_root_section
#7  0x4327C3 in MAIN__ at cp2k.F:?
_pmiu_daemon(SIGCHLD): [NID 00109] [c0-0c1s11n1] [Tue Apr 12 04:41:11 2016] 
PE RANK 0 exit signal Illegal instruction

I am sure that this error has something to do with the executable.
Can anyone please help me in sorting out this error. Any help would be 
appreciable.

Thanks in advance
Aman Jindal



















































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