Error File
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 42, file "Unknown"
Image PC Routine Line Source
nwchem 000000000303EB0E Unknown Unknown Unknown
nwchem 000000000303D5A6 Unknown Unknown Unknown
nwchem 0000000002FF1BF2 Unknown Unknown Unknown
nwchem 0000000002F9F59B Unknown Unknown Unknown
nwchem 0000000002F9EB02 Unknown Unknown Unknown
nwchem 0000000002F9C9E3 Unknown Unknown Unknown
nwchem 0000000000C9588F Unknown Unknown Unknown
nwchem 00000000004E946B Unknown Unknown Unknown
nwchem 00000000004E8F7C Unknown Unknown Unknown
libc.so.6 0000003C5EA1ECDD Unknown Unknown Unknown
nwchem 00000000004E8E79 Unknown Unknown Unknown
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 42, file "Unknown"
Image PC Routine Line Source
nwchem 000000000303EB0E Unknown Unknown Unknown
nwchem 000000000303D5A6 Unknown Unknown Unknown
nwchem 0000000002FF1BF2 Unknown Unknown Unknown
nwchem 0000000002F9F59B Unknown Unknown Unknown
nwchem 0000000002F9EB02 Unknown Unknown Unknown
nwchem 0000000002F9C9E3 Unknown Unknown Unknown
nwchem 0000000000C9588F Unknown Unknown Unknown
nwchem 00000000004E946B Unknown Unknown Unknown
nwchem 00000000004E8F7C Unknown Unknown Unknown
libc.so.6 0000003C5EA1ECDD Unknown Unknown Unknown
nwchem 00000000004E8E79 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 42, file "Unknown"
Image PC Routine Line Source
nwchem 000000000303EB0E Unknown Unknown Unknown
nwchem 000000000303D5A6 Unknown Unknown Unknown
nwchem 0000000002FF1BF2 Unknown Unknown Unknown
nwchem 0000000002F9F59B Unknown Unknown Unknown
nwchem 0000000002F9EB02 Unknown Unknown Unknown
nwchem 0000000002F9C9E3 Unknown Unknown Unknown
nwchem 0000000000C9588F Unknown Unknown Unknown
nwchem 00000000004E946B Unknown Unknown Unknown
nwchem 00000000004E8F7C Unknown Unknown Unknown
libc.so.6 0000003DE741ECDD Unknown Unknown Unknown
nwchem 00000000004E8E79 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 43, file "Unknown"
Image PC Routine Line Source
nwchem 000000000303EB0E Unknown Unknown Unknown
nwchem 000000000303D5A6 Unknown Unknown Unknown
nwchem 0000000002FF1BF2 Unknown Unknown Unknown
nwchem 0000000002F9F59B Unknown Unknown Unknown
nwchem 0000000002F9EB02 Unknown Unknown Unknown
nwchem 0000000002F9C9E3 Unknown Unknown Unknown
nwchem 0000000000C95BC2 Unknown Unknown Unknown
nwchem 00000000004E946B Unknown Unknown Unknown
nwchem 00000000004E8F7C Unknown Unknown Unknown
libc.so.6 0000003DE741ECDD Unknown Unknown Unknown
nwchem 00000000004E8E79 Unknown Unknown Unknown
hdbm_fseek: Invalid argument
datum_fread: failed to position file -1
hdbm_fseek: Invalid argument
datum_fread: failed to position file -1
Last System Error Message from Task 0:: Invalid argument
application called MPI_Abort(comm=0x84000001, 0) - process 0
hdbm_fseek: Invalid argument
hdbm_load: inconsistent end to file -65400 != 115379
datum_fread: failed to malloc -65500
hdbm_file_copy: failed reading from ./h2o.db
hdbm_file_compress: copy to ./h2o.db.tmp failed
rdtb_close: hdbm compress(./h2o.db) returned error
Last System Error Message from Task 0:: Cannot allocate memory
application called MPI_Abort(comm=0x84000001, 0) - process 0
Last System Error Message from Task 0:: Inappropriate ioctl for device
application called MPI_Abort(comm=0x84000001, 1) - process 0
rtdb_seq_get: type mismatch "geometry:geometry:coords" in ./h2o.db: arg=1013, db=33
rtdb_seq_get: type mismatch "geometry:geometry:amatrix" in ./h2o.db: arg=1013, db=0
rtdb_seq_get: type mismatch "geometry:geometry:zmt_izmat" in ./h2o.db: arg=1010, db=0
rtdb_seq_get: "geometry:geometry:zmt_varsign" is 3 long, buffer is 0
rtdb_seq_get: type mismatch "geometry:geometry:zmt_varname" in ./h2o.db: arg=1000, db=1836016999
rtdb_seq_get: size error "geometry:geometry:zmt_ijbond" in ./h2o.db: info=1011, db=320
rtdb_seq_get: type mismatch "geometry:geometry:zmt_ijbond_val" in ./h2o.db: arg=1013, db=33
rtdb_seq_get: type mismatch "geometry:geometry:zmt_ijklto_val" in ./h2o.db: arg=1013, db=1000
rtdb_seq_get: type mismatch "geometry:geometry:zmt_ijklop_val" in ./h2o.db: arg=1013, db=1000
rtdb_seq_get: type mismatch "geometry:geometry:zmt_ijbond_frz" in ./h2o.db: arg=1011, db=38
Last System Error Message from Task 0:: Inappropriate ioctl for device
application called MPI_Abort(comm=0x84000001, 0) - process 0
NWChem was requested by a user. I don't have a background in this area, so I don't know how to use the software. Maybe I'm just not using an input file formatted in a way that can be used with an MPI implementation of NWChem.
Cluster Information
- The cluster network is FDR InfiniBand.
- The job scheduler is Moab HPC Suite 7.2
- The OS is RHEL 6.2
- The compute nodes have dual, quad-core Intel E-2643's, with C600 motherboad chipset, 64GB of ram, local storage 146GB mirror-raided 15K RPM SATA drives, and additional storage mounted as NFS over IB.
- The head node has dual, eight-core Intel E-2650's, with C600 motherboard chipset, 64GB of ram, local storage 146GB mirror-raided 15K RPM SATA drives, and additional storage mounted as NFS over IB.
Cluster deployment is done using Rocks+
There are no accelerator cards.
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