Fail to run 2 example jobs


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Dear all,

I got a copy of NWChem 6.0 and compiled on a linux cluster with infiniband connection (OPENIB) using different combinations of compiler and mpi: includes gcc/gfortran, gcc/ifort with intel mpi and openMPI.

I run 2 example jobs in a linux cluster using 4 processor on 4 nodes, and they are fail as described in the following:

(1) "SiC 8 atom cubic cell - geometry and unit cell optimization"; the job fail with the following message


(rank:3 hostname:fuji450 pid:19313):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
 geom_cart_coords_get: open geometies:  1
  1 geom_cart_coords_get: "geometry" -> "geometry"
 geom_cart_coords_get: geometries in last accessed data base:  2
 geometry
 driverinitial
 _______________________________________________________
 load_cellgeometry: geom cart?        0
 _______________________________________________________
 _______________________________________________________
  current input line :
    40: task paw optimize
 _______________________________________________________
 _______________________________________________________
 There is an error related to the specified geometry
 _______________________________________________________

Here is the input of SiC example
SiC 8 atom cubic cell - geometry and unit cell optimization


(2) "Diamond 8 atom cubic cell - geometry and unit cell optimization", and I got another error :
          |S|      = 0.14343E-02
          pressure = 0.828E-03 au
                   = 0.244E+00 Mbar
                   = 0.244E+02 GPa
                   = 0.240E+06 atm


 Writing Crystallographic Information File:./perm/diamond111.opt.cif
   - cell not shifted (nwpw:cif_shift_cell .false.)
At line 2482 of file ion.F (unit = 19, file = './perm/diamond111.opt.cif')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE


and here is the input
Diamond 8 atom cubic cell - geometry and unit cell optimization

Can anyone tell me what was the problem and provide me a fix? Thanks a lot.

Regards
Dominic Chien