stops at Please give name of formatted atomic psp file

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
davydden
Posts: 17
Joined: Fri Feb 15, 2013 6:50 pm

stops at Please give name of formatted atomic psp file

Post by davydden » Tue Oct 13, 2015 4:21 pm

Something strange is happening as I can't even run first tutorial:

Code: Select all

$ mpirun -np 4 abinit < tbase1_x.files
  ABINIT

  Give name for formatted input file:
tbase1_4.in
  Give name for formatted output file:
tbase1_4.out
  Give root name for generic input files:
tbase1_xi
  Give root name for generic output files:
tbase1_xo
  Give root name for generic temporary files:
tbase1_x

--- !WARNING
message: |
    Finds that output file tbase1_4.out
     already exists.
src_file: isfile.F90
src_line: 120
...

 new name assigned:tbase1_4.out


--- !WARNING
message: |
    Finds that output file tbase1_4.out
     already exists.
src_file: isfile.F90
src_line: 120
...

 new name assigned:tbase1_4.outA


--- !WARNING
message: |
    Finds that output file tbase1_4.outA
     already exists.
src_file: isfile.F90
src_line: 120
...

 new name assigned:tbase1_4.outB


--- !WARNING
message: |
    Finds that output file tbase1_4.outB
     already exists.
src_file: isfile.F90
src_line: 120
...

 new name assigned:tbase1_4.outC


.Version 7.10.4 of ABINIT
.(MPI version, prepared for a x86_64_darwin14.5.0_gnu5.2 computer)

.Copyright (C) 1998-2014 ABINIT group .
 ABINIT comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
 Please read ~abinit/doc/users/acknowledgments.html for suggested
 acknowledgments of the ABINIT effort.
 For more information, see http://www.abinit.org .

.Starting date : Tue 13 Oct 2015.
- ( at 16h07 )


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 === Build Information ===
  Version       : 7.10.4
  Build target  : x86_64_darwin14.5.0_gnu5.2
  Build date    : 20151013

 === Compiler Suite ===
  C compiler       : gnu
  C++ compiler     : gnuApple
  Fortran compiler : gnu5.2
  CFLAGS           :  -g -O2
  CXXFLAGS         :  -g -O2
  FCFLAGS          :  -g -ffree-line-length-none
  FC_LDFLAGS       :

 === Optimizations ===
  Debug level        : basic
  Optimization level : safe
  Architecture       : unknown_unknown

 === Multicore ===
  Parallel build : yes
  Parallel I/O   : auto
  openMP support : no
  GPU support    : no

 === Connectors / Fallbacks ===
  Connectors on : yes
  Fallbacks on  : yes
  DFT flavor    : libxc
  FFT flavor    : fftw3
  LINALG flavor : custom+scalapack
  MATH flavor   : gsl
  TIMER flavor  : abinit
  TRIO flavor   : none

 === Experimental features ===
  Bindings            : @enable_bindings@
  Exports             : no
  GW double-precision : yes

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Default optimizations:
   -O2


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 CPP options activated during the build:

                    CC_GNU                   CXX_GNU                    FC_GNU

            HAVE_DFT_LIBXC HAVE_DFT_LIBXC_GET_NUMBER HAVE_FC_ALLOCATABLE_DT...

             HAVE_FC_ASYNC         HAVE_FC_BACKTRACE  HAVE_FC_COMMAND_ARGUMENT

      HAVE_FC_COMMAND_LINE        HAVE_FC_CONTIGUOUS           HAVE_FC_CPUTIME

              HAVE_FC_EXIT             HAVE_FC_FLUSH             HAVE_FC_GAMMA

            HAVE_FC_GETENV   HAVE_FC_IEEE_EXCEPTIONS          HAVE_FC_INT_QUAD

             HAVE_FC_IOMSG     HAVE_FC_ISO_C_BINDING        HAVE_FC_LONG_LINES

        HAVE_FC_MOVE_ALLOC           HAVE_FC_PRIVATE         HAVE_FC_PROTECTED

         HAVE_FC_STREAM_IO            HAVE_FC_SYSTEM                  HAVE_FFT

            HAVE_FFT_FFTW3              HAVE_FFT_MPI           HAVE_FFT_SERIAL

          HAVE_FORTRAN2003               HAVE_GW_DPC        HAVE_LIBPAW_ABINIT

               HAVE_LINALG           HAVE_LINALG_MPI     HAVE_LINALG_SCALAPACK

        HAVE_LINALG_SERIAL                 HAVE_MATH             HAVE_MATH_GSL

          HAVE_MATH_SERIAL                  HAVE_MPI                 HAVE_MPI2

       HAVE_MPI_IALLREDUCE        HAVE_MPI_IALLTOALL       HAVE_MPI_IALLTOALLV

               HAVE_MPI_IO HAVE_MPI_TYPE_CREATE_S...                HAVE_NUMPY

                HAVE_TIMER         HAVE_TIMER_ABINIT            HAVE_TIMER_MPI

         HAVE_TIMER_SERIAL              USE_MACROAVE
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

- input  file    -> tbase1_4.in
- output file    -> tbase1_4.outC
- root for input  files -> tbase1_xi
- root for output files -> tbase1_xo

-instrng :    70 lines of input have been read from file tbase1_4.in


 iofn2 : Please give name of formatted atomic psp file

sdfsd
q
f

After 'iofn2 : Please give name of formatted atomic psp file' is printed I type whatever and nothing happens (irrespectively of what I type).

Initially i thought something must be wrong with my input file, but input files from Tutorial do not work either.

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: stops at Please give name of formatted atomic psp file

Post by Jordan » Thu Oct 15, 2015 11:15 am

Have you tried on 1 cpu ?
since you use

Code: Select all

mpirun -np 4 abinit < tbase1_x.files

you can not pass anything through your keyboard to the code, Only the file tbase1_x.files is used.
Are you sure all cpus can read tbase1_x.files ?

You can also try by hand

Code: Select all

mpirun -np 4 abinit

and type on the keyboard what is inside tbase1_x.files

Cheers

Jordan

Locked