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qp2/man/qp_run.1

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.TH "QP_RUN" "1" "Jun 15, 2019" "2.0" "Quantum Package"
.SH NAME
qp_run \- | Quantum Package >
.
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.sp
Command used to run a calculation.
.sp
If the \fBUSR1\fP signal is sent to \fI\%qp_run\fP, the application will
call qp_stop to request a clean termination. In a SLURM script,
you can ask SLURM to send the \fBUSR1\fP signal 120 seconds before end of
the time limit with
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.sp
.nf
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#SBATCH \-\-signal=B:USR1@120
.ft P
.fi
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.sp
There is a directory named \fBwork\fP in the \fI\%EZFIO\fP\&. This directory
will contain work files which can be large, so it is recommended to
work in the scratch directory. To archive the \fI\%EZFIO\fP directory, it is
recommended to remove the \fBwork\fP directory.
.SH USAGE
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.sp
.nf
.ft C
qp_run [\-h] [\-p <string>] [\-s] [\-\-] PROGRAM EZFIO_DIR
.ft P
.fi
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.sp
\fBPROGRAM\fP is the name of the \fIQuantum Package\fP program to be run, and \fBEZFIO_DIR\fP
is the name of the \fI\%EZFIO\fP directory containing the data.
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.TP
.B \-h, \-\-help
Displays the list of available \fIQuantum Package\fP programs.
.UNINDENT
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.TP
.B \-p <string>, \-\-prefix=<string>
Prefix before running the program. This option is used to run
programs like like gdb or valgrind.
.UNINDENT
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.TP
.B \-s, \-\-slave
This option needs to be set to run a slave job for \fBPROGRAM\fP, to
accelerate another running instance of the \fIQuantum Package\fP\&.
.UNINDENT
.SH EXAMPLE
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.INDENT 3.5
.sp
.nf
.ft C
qp_run fci h2o.ezfio &
srun qp_run \-\-slave fci h2o.ezfio
wait
.ft P
.fi
.UNINDENT
.UNINDENT
.SH AUTHOR
A. Scemama, E. Giner
.SH COPYRIGHT
2019, A. Scemama, E. Giner
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