Hi,
I'm running nwchem with input file [1]. The application ran successfully until it failed with the error below.
Anyone has an idea what is wrong?
Global array virtual files algorithm will be used
Parallel file system coherency ......... OK
Integral file = ./cytosine_oh.aoints.0
Record size in doubles = 65536 No. of integs per rec = 32766
Max. records in memory = 0 Max. records in file = 47733
No. of bits per label = 16 No. of bits per value = 64
#quartets = 2.379D+07 #integrals = 6.384D+08 #direct = 0.0% #cached =100.0%
File balance: exchanges= 4 moved= 327 time= 11.7
Fock matrix recomputed
1-e file size = 134162
1-e file name = ./cytosine_oh.f1
Cpu & wall time / sec 93.5 247.6
tce_ao2e: fast2e=1
half-transformed integrals in memory
2-e (intermediate) file size = 10492351200
2-e (intermediate) file name = ./cytosine_oh.v2i
available GA memory 209115096 bytes
------------------------------------------------------------------------
createfile: failed ga_create size=*********
------------------------------------------------------------------------
available GA memory 209156568 bytes
available GA memory 209156576 bytes
createfile: failed ga_create size=*********
available GA memory 209192864 bytes
createfile: failed ga_create size=*********
------------------------------------------------------------------------
------------------------------------------------------------------------
createfile: failed ga_create size=*********
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
149: task tce energy
------------------------------------------------------------------------
current input line :
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
------------------------------------------------------------------------
current input line :
------------------------------------------------------------------------
current input line :
0:
0:
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
------------------------------------------------------------------------
For further details see manual section:
For further details see manual section:
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:0:createfile: failed ga_create size=:: 1902416608
1:1:createfile: failed ga_create size=:: 1902416608
(rank:0 hostname:cs-nsl17 pid:17269):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
(rank:1 hostname:cs-nsl17 pid:17270):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
3:3:createfile: failed ga_create size=:: 1902416608
2:2:createfile: failed ga_create size=:: 1902416608
(rank:2 hostname:cs-nsl17 pid:17271):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
(rank:3 hostname:cs-nsl17 pid:17272):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
root@cs-nsl17:~/nwchem/nwchem-6.1.1-src/src# cat time.txt
Command exited with non-zero status 224
3220.75user 720.50system 4:07:14elapsed 26%CPU (0avgtext+0avgdata 324880maxresident)k
1315859616inputs+40717200outputs (411major+91638minor)pagefaults 0swaps
|