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Re: [lammps-users] passing string arguments to write_dump
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Re: [lammps-users] passing string arguments to write_dump


From: Gideon Simpson <gideon.simpson@...24...>
Date: Thu, 21 Dec 2017 16:05:00 -0500

resolved due to a trivial issue on my part, thanks

-gideon

On Dec 21, 2017, at 3:18 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:



On Thu, Dec 21, 2017 at 2:55 PM, Gideon Simpson <gideon.simpson@...24...> wrote:
I’m trying to pass a string type variable to write_dump as
variable mystring string “file.out"
write_dump all atom ${mystring}

This generates the error:

WARNING: Calling write_dump before a full system init. (../write_dump.cpp:81)
ERROR on proc 0: Cannot open dump file (../dump.cpp:551)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor

​run your input with -echo screen​


No such error is generated if I just do

write_dump all atom file.out

​it works for me:

variable mystring string "file.out"

write_dump all atom ${mystring}
write_dump all atom file.out
WARNING: Calling write_dump before a full system init. (../write_dump.cpp:81)


​axel.​

 


-gideon


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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.