The ABINIT Users Mailing List ( CLOSED )

[Chao Cao <cao@qtp.ufl.edu>]

Dear abinit users:
 I compiled latest abinit (version 5.3.4, 5.2.4 was also tried) with 
mpi parallel support. It was compiled with pathscale compiler/ACML 
library/Open MPI 1.1.4. Everything compiled OK and all the sequential 
tests were passed. Parallel execution of abinit (abinip) for ground 
state calculations were also performed without error. However, when I 
test on GW calculations, the code would always stop with errors.
 For example, when I perform test_v4 t88, the code will stop after it 
goes into data set 2. In the log file (redirected from standard output), 
it stops at:
......
......

End the ECHO of the ABINIT file header
===============================================================================
Results from ABINIT code
Ab-initio plane waves calculation
Results from ABINIT code                     
Ab-initio plane waves 
calculation                                              
number of electrons                           8
number of symmetries without inversion       24
number of bands                              30
number of plane waves                        89
......
......
  
vkbsign:  1.0 1.0 0.0


k       eigenvalues [eV]
 1         -6.16   5.85   5.85   5.85   8.37   8.37   8.37   8.97  
13.42  13.85

 2         -5.35   1.88   5.07   5.07   7.73   9.34   9.34  12.53  
13.18  13.18

 3         -3.79  -1.20   4.62   4.62   7.26   9.19   9.19  13.33  
16.71  16.71

 4         -5.07   2.33   3.91   3.91   6.90   8.90  11.60  11.60  
13.71  15.07

 5         -3.42  -0.57   2.24   3.60   7.28  10.25  11.49  11.78  
15.93  16.53

 6         -4.10   0.33   2.02   4.49   8.21  10.60  10.92  11.81  
12.40  15.39

 7         -2.00  -2.00   2.94   2.94   6.46   6.46  15.78  15.78  
17.07  17.07

 8         -1.84  -1.84   1.91   1.91  10.09  10.09  10.74  10.74  
16.42  16.42

3 additional processes aborted (not shown)
**********************************END OF LOG 
FILE************************************


and in the mpi.out:


lib-4091 : UNRECOVERABLE library error
 A WRITE operation was attempted on a file with no write permission.

Encountered during a sequential formatted WRITE to unit 7
Fortran unit 7 is connected to a sequential formatted text file: "fort.7"
Current format: (i3,7x,10f7.2/50(10x,10f7.2/))
               ^
Signal:6 info.si_errno:0(Success) si_code:-6()
[0] func:/opt/psc/ompi/1.1.4/lib/libopal.so.0 [0x2a959ab02b]
*** End of error message ***



It looks to me that somewhere in the GW code, two or more MPI threads 
was trying to write to file "fort.7", and thus failed. Has anyone else 
encountered problem like this? Any suggestions would be appreciated.


Best,



Chao Cao

Quantum Theory Project,
University of Florida
Gainesville, FL 32608