Advertisement
Not a member of Pastebin yet?
Sign Up,
it unlocks many cool features!
- ompi /work/sge/default/spool/r22n07/active_jobs/1028633.1/pe_hostfile 8 1 /home/lv70190/aigner
- r22n07 8 all.q@r22n07 UNDEFINED
- r22n07:0.env PSM_TRACEMASK Mask flags for tracing => 0x1
- r22n07:0.env IPATH_DISABLE_MMAP_MALLOC Disable mmap for malloc() => NO
- r22n07:0.env PSM_NUM_SEND_BUFFERS Number of send buffers to allocate [1024] => 1024
- r22n07:0.env PSM_PKEY Infiniband PKey to use for endpoint => 65535
- r22n07:0.env PSM_IB_SERVICE_ID IB Service ID for path resolution => 1152940698815692800
- r22n07:0.env PSM_PATH_REC Mechanism to query IB path record (default is no path query) => none
- r22n07:0.env PSM_NUM_SEND_DESCRIPTORS Number of send descriptors to allocate [4096] => 4096
- r22n07:0.env PSM_SEND_IMMEDIATE_SIZE Immediate data send size not requiring a buffer [128] => 128
- r22n07:0.env IPATH_NO_CPUAFFINITY Prevent PSM from setting affinity => NO
- r22n07:0.env IPATH_UNIT Device Unit number (-1 autodetects) => -1
- r22n07:0.env IPATH_PORT IB Port number (<= 0 autodetects) => 0
- r22n07:0.env IPATH_SL IB outging ServiceLevel number (default 0) => 0
- r22n07:0.env PSM_DEVICES Ordered list of PSM-level devices => self,shm (default was self,shm,ipath)
- r22n07:0.env PSM_MEMORY Memory usage mode (normal or large) => normal
- r22n07:0.env *MPI_LOCALRANKID Shared context rankid => 0 (default was -1)
- r22n07:0.env PSM_MQ_SENDREQS_MAX Max num of isend requests in flight => 1048576
- r22n07:0.env PSM_MQ_RECVREQS_MAX Max num of irecv requests in flight => 1048576
- r22n07:0.env PSM_SHM_KCOPY PSM Shared Memory use kcopy (put,get,none) => put
- r22n07:0.env PSM_KASSIST_MODE PSM Shared memory kernel assist mode (knem-put, knem-get, kcopy-put, kcopy-get, none) => knem-put
- r22n07:0.env PSM_MQ_RNDV_IPATH_THRESH ipath eager-to-rendezvous switchover => 64000
- r22n07:0.env PSM_MQ_RNDV_SHM_THRESH shm eager-to-rendezvous switchover => 16000
- r22n07:0.env PSM_CONNECT_TIMEOUT End-point connection timeout over-ride. 0 for no time-out. => 0
- LAMMPS (9 Nov 2011)
- using 1 OpenMP thread(s) per MPI task
- reset 4 OpenMP thread(s) per MPI task
- Scanning data file ...
- 4 = max bonds/atom
- 6 = max angles/atom
- Reading data file ...
- orthogonal box = (0 0 5.41912) to (85.24 85.24 176.365)
- 1 by 1 by 2 processor grid
- 17428 atoms
- 17428 velocities
- 4823 bonds
- 4141 angles
- Finding 1-2 1-3 1-4 neighbors ...
- 4 = max # of 1-2 neighbors
- 6 = max # of 1-3 neighbors
- 11 = max # of 1-4 neighbors
- 14 = max # of special neighbors
- 4296 atoms in group fluid
- 11878 atoms in group bulk
- 1254 atoms in group silanol
- 10064 atoms in group wall
- 3068 atoms in group sphere
- 9440 atoms in group bulkWall
- 2438 atoms in group bulkSphere
- 5550 atoms in group flexible
- Finding SHAKE clusters ...
- 438 = # of size 2 clusters
- 1432 = # of size 3 clusters
- 0 = # of size 4 clusters
- 0 = # of frozen angles
- PPPM initialization ...
- G vector = 0.178186
- grid = 32 32 135
- stencil order = 5
- RMS precision = 8.08791e-05
- using double precision FFTs
- brick FFT buffer size/proc = 157435 115712 38295
- Setting up run ...
- Memory usage per processor = 47.0534 Mbytes
- Step Temp E_pair E_mol TotEng Press
- 0 101.57718 -972952.55 14414.28 -953594.95 -652.64217
- 100 104.33898 -972976.72 9301.1823 -958597.8 530.20245
- 200 89.463994 -973014.61 8340.0465 -960320.74 725.94831
- 300 85.08283 -973099.17 7727.4801 -961231.07 563.16956
- 400 83.863441 -973364.15 7601.7659 -961681.11 568.82877
- ERROR on proc 1: Out of range atoms - cannot compute PPPM (pppm.cpp:1512)
- r22n07:1.MPID_Abort: r22n07:1.MPI Abort by user Aborting program !
- r22n07:1.MPID_CH_Abort: r22n07:1.Aborting program!
- ERROR on proc 0: Out of range atoms - cannot compute PPPM (pppm.cpp:1512)
- r22n07:0.MPID_Abort: r22n07:0.MPI Abort by user Aborting program !
- r22n07:0.MPID_CH_Abort: r22n07:0.Aborting program!
- r22n07:0.env PSM_CLOSE_TIMEOUT End-point close timeout over-ride. => 0
Advertisement
Add Comment
Please, Sign In to add comment
Advertisement