(unknown charset) Re: [AMBER] Amber16+AT17: Several checks failing w/Intel Parallel Studio XE 2018.1

From: (unknown charset) Patrice Peterson <patrice.peterson.itz.uni-halle.de>
Date: Tue, 23 Jan 2018 21:55:00 +0100

Am Dienstag, 23. Januar 2018, 21:18:30 CET schrieb Patrice Peterson:
> Testing AMD with PME
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> libifcoremt.so.5 00002B5879C83F0C for__signal_handl Unknown Unknown
> libpthread-2.17.s 00002B587C1815E0 Unknown Unknown Unknown
> pmemd 00000000004C584E cit_mod_mp_setup_ 202 cit.F90
> pmemd 00000000004BE601 pme_direct_mod_mp 232 pme_direct.F90
> pmemd 00000000004B683C pme_force_mod_mp_ 1555 pme_force.F90
> pmemd 000000000048218F runmd_mod_mp_runm 1036 runmd.F90
> pmemd 0000000000405026 MAIN__ 577 pmemd.F90
> pmemd 0000000000404AFE Unknown Unknown Unknown
> libc-2.17.so 00002B587C5B3C05 __libc_start_main Unknown Unknown
> pmemd 0000000000404A09 Unknown Unknown Unknown
> ./Run.pme.amd1: Program error
> make: [pme] Error 1 (ignored)

Adding "-g -debug -traceback" to PMEMD_FOPTFLAGS changes the line in cit.F90 to 92:

> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> libifcoremt.so.5 00002B2415854F0C for__signal_handl Unknown Unknown
> libpthread-2.17.s 00002B2417D525E0 Unknown Unknown Unknown
> pmemd 00000000004C57A1 cit_mod_mp_setup_ 92 cit.F90
> pmemd 00000000004BE551 pme_direct_mod_mp 232 pme_direct.F90
> pmemd 00000000004B676C pme_force_mod_mp_ 1555 pme_force.F90
> pmemd 0000000000481FFF runmd_mod_mp_runm 1036 runmd.F90
> pmemd 0000000000405026 MAIN__ 577 pmemd.F90
> pmemd 0000000000404AFE Unknown Unknown Unknown
> libc-2.17.so 00002B2418184C05 __libc_start_main Unknown Unknown
> pmemd 0000000000404A09 Unknown Unknown Unknown
> ./Run.pme.amd1: Program error
> make: [pme] Error 1 (ignored)

Which is the following line in setup_crd_idx_tbl:
> if (crd_idx_lst_tbl(x_idx, y_idx, z_idx) .eq. 0) then ! New list.

-Patrice

-- 
Patrice Peterson
Referent für High Performance Computing
Martin-Luther-Universität Halle-Wittenberg
☎ (+49) 345-55 21864








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Received on Tue Jan 23 2018 - 13:00:02 PST
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