[molpro-user] Problems during the execution of molpro

[Dimitri Cavalcanti]

Hello molpro users,

    i've tried to run the UF6 molecule in the molpro, but the program
returns to me this error:

 GLOBAL ERROR fehler on processor
0
0:0:fehler:: 170059094
(rank:0 hostname:microboard pid:10403):ARMCI DASSERT fail.
armci.c:ARMCI_Error():260 cond:0
Last System Error Message from Task 0:: Inappropriate ioctl for device
  0: ARMCI aborting 0 (0).
  0: ARMCI aborting 0 (0).
system error message: Inappropriate ioctl for device
  1: interrupt(1)
WaitAll: No children or error in wait?

i read in the malling list about this problem, a how to fix it with the
token file in ~/.molpro/token but it doesn't work to me. Continue giving the
same error.

i've found in the outpu file this message:

Convergence:                0.00000000  (line search)     0.45000013
25.08991896  (total)
 ? Error
 ? No convergence
 ? The problem occurs in rhfpro

Some one can tell me whats wrong?

Thanks for all.


-- 
Dimitri de Pinho Cavalcanti
Departamento de Química Fundamental - UFPE
2126-8447
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