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<div class="moz-cite-prefix">dear Venkataramana Imandi<br>
your message is not very clear, to me at least, about what is
your problem.<br>
<br>
a user can stop a running calculation cleanly (so being able to
restart it or use its <br>
temporarily stored data) by creating a prefix.EXIT file in the
execution directory. <br>
did you created such a file in the execution directory ? if yes
did the code stop (when reaching the next check point) ?<br>
<br>
the second method allows you to use a system signal to interrupt
the calculation but<br>
1) the code needs to be instructed in advance when compiled by
specifying the option in the MANUAL_FLAG variable in make.sys<br>
2) the code will stop at the next check point anyway.<br>
<br>
stefano<br>
<br>
On 02/10/2015 19:26, Venkataramana Imandi wrote:<br>
</div>
<blockquote
cite="mid:CAEJJhnt20A1E4J6=KFzp9RU1ARTkdeECBGwzHBeM5eDF5w+4uA@mail.gmail.com"
type="cite">
<div dir="ltr">
<div>Dear all,<br>
</div>
<div><br>
In the manual clean stop occurs as follows.<br>
1. prefix.EXIT file is created in the execution directory.<br>
In my calculations, prefix.EXIT file is not created (prefix
name given in the control namelist) during the calculations.<br>
If it is created in the execution directory, how to stop
calculations (please suggest command prompt).<br>
2. signal trapping<br>
add \mbox{"-D\_\_TERMINATE\_GRACEFULLY"} to
\mbox{MANUAL\_DFLAGS} in the make.sys file for clean stop.<br>
But I don't know where and which position the above command
add in the make.sys file (attached make.sys file) and please
suggest me.<br>
I tried several ways with command as follows.<br>
qsig jobid<br>
qsig -s SIGTERM jobid<br>
qsig -s SIGTERM jobidname<br>
<br>
the above commands do not give clean stop, that means
compilation is required with
\mbox{"-D\_\_TERMINATE\_GRACEFULLY"} to \mbox{MANUAL\_DFLAGS}
in the make.sys file.<br>
Please suggest, how to do clean stop in the QE calculations.<br>
<br>
</div>
<br>
# MANUAL_DFLAGS = additional precompilation option(s), if
desired<br>
# You may use this instead of tweaking DFLAGS
and FDFLAGS<br>
# BEWARE: will not work for IBM xlf! Manually
edit FDFLAGS<br>
MANUAL_DFLAGS =<br>
<div><br>
<div class="gmail_signature">venkataramana <br>
</div>
<div class="gmail_signature">PhD student<br>
</div>
<div class="gmail_signature">IIT Bombay<br>
</div>
<div class="gmail_signature">Mumbai<br>
</div>
</div>
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<br>
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