error while running cp2k jobs - Program received signal SIGILL
Aman Jindal
amanjin... at gmail.com
Sun Apr 17 14:21:12 UTC 2016
Hello everyone,
I compiled cp2k-3.0 cuda version on CRAY-XC40 with plumed. But I got the
following error while running jobs:
MEMORY| MemTotal 66074796 66074796 66074796
66074796
MEMORY| MemFree 63779160 63779160 63782324
63780742
MEMORY| Buffers 0 0 0
0
MEMORY| Cached 346232 346232 346572
346402
MEMORY| Slab 153204 151748 153204
152476
MEMORY| SReclaimable 7700 7648 7700
7674
MEMORY| MemLikelyFree 64133092 64133092 64136544
64134818
Program received signal SIGILL: Illegal instruction.
Backtrace for this error:
#0 0x2AAAB41AB467
#1 0x2AAAB41AA660
#2 0x2AAAB4FF391F
#3 0x2AAAAADB6DC6
#4 0x2AAAAADAD9FA
#5 0x1909FBD in __fftw3_lib_MOD_fftw3_do_init
#6 0x1843675 in __fft_tools_MOD_init_fft
#7 0x7B3338 in __environment_MOD_fft_setup_library at environment.F:?
#8 0x7B9466 in __environment_MOD_cp2k_read
#9 0xBFE4B2 in __f77_interface_MOD_create_force_env
#10 0x428B39 in __cp2k_runs_MOD_cp2k_run at cp2k_runs.F:?
#11 0x42C01C in __cp2k_runs_MOD_run_input
#12 0x42745E in MAIN__ at cp2k.F:?
Can anyone please help me in finding what's going wrong. Attached is the
complete output file (terminated due to error).
Thank you,
Aman Jindal
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DBCSR| Multiplication driver SMM
DBCSR| Multrec recursion limit 512
DBCSR| Multiplication stack size 30000
DBCSR| Maximum elements for images UNLIMITED
DBCSR| Randmat seed 12341313
DBCSR| Multiplication size stacks 3
DBCSR| Use MPI memory allocation T
DBCSR| Use RMA algorithm F
DBCSR| Use Communication thread T
DBCSR| Communication thread load 87
DBCSR| ACC: Number of priority stack-buffers 40
DBCSR| ACC: Number of posterior stack-buffers 80
DBCSR| ACC: Number of priority streams 4
DBCSR| ACC: Number of posterior streams 4
DBCSR| ACC: Avoid driver after busy F
DBCSR| ACC: Process inhomogenous stacks T
DBCSR| ACC: Min. flop for processing 0
DBCSR| ACC: Min. flop for sorting 4000
DBCSR| ACC: Number of binning bins 4096
DBCSR| ACC: Size of binning bins 16
**** **** ****** ** PROGRAM STARTED AT 2016-04-17 09:00:48.992
***** ** *** *** ** PROGRAM STARTED ON nid00101
** **** ****** PROGRAM STARTED BY 16411
***** ** ** ** ** PROGRAM PROCESS ID 790
**** ** ******* ** PROGRAM STARTED IN /mnt/lustre/ipc3/ipcaman/cp2k-3.0/exe
/CRAY-XC30-gfortran-cuda
CP2K| version string: CP2K version 3.0
CP2K| source code revision number: svn:16458
CP2K| cp2kflags: omp fftw3 parallel mpi2 scalapack acc smm_dnn smm dbcsr_acc pl
CP2K| umed2
CP2K| is freely available from https://www.cp2k.org/
CP2K| Program compiled at Sat Apr 16 05:37:39 CDT 2016
CP2K| Program compiled on clogin72
CP2K| Program compiled for CRAY-XC30-gfortran-cuda
CP2K| Data directory path /mnt/lustre/ipc3/ipcaman/cp2k-3.0/data
CP2K| Input file name inp.Acetic_methanol
GLOBAL| Force Environment number 1
GLOBAL| Basis set file name ./POTENTIAL
GLOBAL| MM Potential file name MM_POTENTIAL
GLOBAL| Coordinate file name __STD_INPUT__
GLOBAL| Method name CP2K
GLOBAL| Project name Acetic_methanol
GLOBAL| Preferred FFT library FFTW3
GLOBAL| Preferred diagonalization lib. SL
GLOBAL| Run type GEO_OPT
GLOBAL| All-to-all communication in single precision F
GLOBAL| FFTs using library dependent lengths F
GLOBAL| Global print level LOW
GLOBAL| Total number of message passing processes 2
GLOBAL| Number of threads for this process 1
GLOBAL| This output is from process 0
Program received signal SIGILL: Illegal instruction.
Backtrace for this error:
GLOBAL| CPU model name : Intel(R) Xeon(R) CPU E5-2695 v2 @ 2.40GHz
MEMORY| system memory details [Kb]
MEMORY| rank 0 min max average
MEMORY| MemTotal 66074796 66074796 66074796 66074796
MEMORY| MemFree 63779160 63779160 63782324 63780742
MEMORY| Buffers 0 0 0 0
MEMORY| Cached 346232 346232 346572 346402
MEMORY| Slab 153204 151748 153204 152476
MEMORY| SReclaimable 7700 7648 7700 7674
MEMORY| MemLikelyFree 64133092 64133092 64136544 64134818
Program received signal SIGILL: Illegal instruction.
Backtrace for this error:
#0 0x2AAAB41AB467
#1 0x2AAAB41AA660
#2 0x2AAAB4FF391F
#3 0x2AAAAADB6DC6
#4 0x2AAAAADAD9FA
#5 0x1909FBD in __fftw3_lib_MOD_fftw3_do_init
#6 0x1843675 in __fft_tools_MOD_init_fft
#7 0x7B3338 in __environment_MOD_fft_setup_library at environment.F:?
#8 0x7B9466 in __environment_MOD_cp2k_read
#9 0xBFE4B2 in __f77_interface_MOD_create_force_env
#10 0x428B39 in __cp2k_runs_MOD_cp2k_run at cp2k_runs.F:?
#11 0x42C01C in __cp2k_runs_MOD_run_input
#12 0x42745E in MAIN__ at cp2k.F:?
#0 0x2AAAB41AB467
#1 0x2AAAB41AA660
#2 0x2AAAB4FF391F
#3 0x2AAAAADB6DC6
#4 0x2AAAAADAD9FA
#5 0x1909FBD in __fftw3_lib_MOD_fftw3_do_init
#6 0x1843675 in __fft_tools_MOD_init_fft
#7 0x7B3338 in __environment_MOD_fft_setup_library at environment.F:?
#8 0x7B9466 in __environment_MOD_cp2k_read
#9 0xBFE4B2 in __f77_interface_MOD_create_force_env
#10 0x428B39 in __cp2k_runs_MOD_cp2k_run at cp2k_runs.F:?
#11 0x42C01C in __cp2k_runs_MOD_run_input
#12 0x42745E in MAIN__ at cp2k.F:?
_pmiu_daemon(SIGCHLD): [NID 00101] [c0-0c1s9n1] [Sun Apr 17 09:00:49 2016] PE RANK 0 exit signal Illegal instruction
[NID 00101] 2016-04-17 19:31:51 Apid 814707: initiated application termination
Application 814707 exit codes: 132
Application 814707 exit signals: Killed
Application 814707 resources: utime ~2s, stime ~1s, Rss ~167536, inblocks ~107154, outblocks ~216695
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