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Re: [abinit-forum] PAW runs


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  • From: Marc Torrent <marc.torrent@cea.fr>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] PAW runs
  • Date: Thu, 06 Oct 2005 11:03:20 +0200

Hi,

Try to edit the Src_3paw/pawinit.F90 file and comment the line number 172 (i.e. if (associated(pawang%realgnt)) deallocate(pawang%realgnt))...
It's an optional line for most compilers... and perhaps g95 does not appreciate the "associated" function used on pointers.
Then re-compile the code...

Marc Torrent
CEA-Bruyeres-le-Chatel - France




Nuno A. G. Bandeira a écrit :
Hello,

Abinit compiled with g95 crashed with the following message while
attempting to run a paw job :

$ Exception: Access Violation
At line 172 of file pawinit_cpp.f90
Traceback: (Innermost first)
Called from line 203 of file gstate_cpp.f90
Called from line 134 of file driver_cpp.f90
Called from line 147 of file abinis_cpp.f90

The log has this last line:

setup2: Arith. and geom. avg. npw (full set) are 54917.000 54917.000

The input file makes use of mkmem=0 but if I change it to mkmem=1 it
still produces the same error message.

The same happens with the Tutorial paw tests.

Any idea what this is ?





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