[Pw_forum] Re: Pw_forum digest, Vol 1 #613 - 12 msgs

[Diego Moreno]

Thanks for response; (Paolo Giannozzi) and (Lilong Li)
  running pw.x as:  /opt/espresso-2.1.3/bin/pw.x

Paolo write:
> or a different compiler: g95 is rather usable, and I think it is now possible
> to load mkl with g95  (3.5.0) 4.0.0 no work with pw

I configure 
./configure F90=g95 LIBDIRS="/opt/intel/mkl721/lib/32 /usr/lib /usr/include"
  cleaning /scratch... done
  running the scf calculation for
Si...examples/example01/./run_example: line 570:  3382 Violación de
segmento   $PW_COMMAND <si.scf.$diago.in >si.scf.$diago.out
 done
  running the band-structure calculation for
Si...examples/example01/./run_example: line 570:  3384 Violación de
segmento   $PW_COMMAND <si.band.$diago.in >si.band.$diago.out
 done
  cleaning /scratch... done
  running the scf calculation for
Al...examples/example01/./run_example: line 570:  3387 Violación de
segmento   $PW_COMMAND <al.scf.$diago.in >al.scf.$diago.out
 done
  running the band-structure calculation for Al...At line 70 of file
error.F90 (Unit 6)
STOP 2
 done
  cleaning /scratch... done
  running the scf calculation for
Cu...examples/example01/./run_example: line 570:  3392 Violación de
segmento   $PW_COMMAND <cu.scf.$diago.in >cu.scf.$diago.out
 done
  running the band-structure calculation for
Cu...examples/example01/./run_example: line 570:  3394 Violación de
segmento   $PW_COMMAND <cu.band.$diago.in >cu.band.$diago.out
 done
  cleaning /scratch... done
  running the scf calculation for
Ni...examples/example01/./run_example: line 570:  3397 Violación de
segmento   $PW_COMMAND <ni.scf.$diago.in >ni.scf.$diago.out
 done
  running the band-structure calculation for Ni...At line 70 of file
error.F90 (Unit 6)
STOP 2
 done
  cleaning /scratch... done
  running the scf calculation for
Si...examples/example01/./run_example: line 570:  3402 Violación de
segmento   $PW_COMMAND <si.scf.$diago.in >si.scf.$diago.out
 done
  running the band-structure calculation for
Si...examples/example01/./run_example: line 570:  3404 Violación de
segmento   $PW_COMMAND <si.band.$diago.in >si.band.$diago.out
 done
  cleaning /scratch... done
  running the scf calculation for
Al...examples/example01/./run_example: line 570:  3407 Violación de
segmento   $PW_COMMAND <al.scf.$diago.in >al.scf.$diago.out
 done
  running the band-structure calculation for Al... done
  cleaning /scratch... done
  running the scf calculation for
Cu...examples/example01/./run_example: line 570:  3412 Violación de
segmento   $PW_COMMAND <cu.scf.$diago.in >cu.scf.$diago.out
 done
  running the band-structure calculation for
Cu...examples/example01/./run_example: line 570:  3414 Violación de
segmento   $PW_COMMAND <cu.band.$diago.in >cu.band.$diago.out
 done
  cleaning /scratch... done
  running the scf calculation for
Ni...examples/example01/./run_example: line 570:  3417 Violación de
segmento   $PW_COMMAND <ni.scf.$diago.in >ni.scf.$diago.out
 done
  running the band-structure calculation for
Ni...examples/example01/./run_example: line 570:  3419 Violación de
segmento   $PW_COMMAND <ni.band.$diago.in >ni.band.$diago.out
 done
____________________________________________________________________________
|Universidad Nacional de Colombia
|Grupo de Química Teorica
|diegovmorenor at gmail.com
|dvmorenor at unal.edu.co