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<p><font face="Times New Roman">Are you using the NERSC cluster
mentioned at:</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="http://www.nersc.gov/users/software/applications/materials-science/wien2k/">http://www.nersc.gov/users/software/applications/materials-science/wien2k/</a><br>
</font></p>
<p>If so, I see:</p>
<p>Need Help?</p>
<p>Consulting and questions<br>
<br>
<a class="moz-txt-link-freetext" href="https://help.nersc.gov">https://help.nersc.gov</a><br>
1-800-66-NERSC, option 3<br>
or 510-486-8613 Monday - Friday 8-5 Pacific</p>
<p>It should be better to ask that cluster help desk if that is the
case.<br>
</p>
<p>The error says "srun: error: No hardware architecture specified
(-C)!".</p>
<p>Probably you need to add "#SBATCH -C haswell" to the job script
or one of the other architectures to remove that error as
mentioned at:<br>
</p>
<p><a class="moz-txt-link-freetext" href="http://www.nersc.gov/users/computational-systems/cori/running-jobs/batch-jobs/">http://www.nersc.gov/users/computational-systems/cori/running-jobs/batch-jobs/</a><br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 10/20/2018 12:37 PM, Dr. K. C. Bhamu
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAJYci+S_E0q1pbLoUaAqK90=fXYTtnpz8_xgSMDvnmUynOaavA@mail.gmail.com">
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<div dir="ltr"><span style="font-size:12.8px"></span></div>
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<div>Dear Gavin,</div>
<div>(updated)<br>
</div>
<div>I am writing on behalf of Ms. Bushra,
as she is not able to reply for now, with
some test on the same cluster with wien2k
version 17.1 and 18.2.</div>
<div><br>
</div>
<div>The actual error what she/me see is
"/usr/common/nsg/bin/mpirun: Permission
denied" which may be solved by cluster
admin only.</div>
<div><br>
</div>
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<div dir="ltr">For
Wien2k_17.1 the mpirun was
defined as "mpirun -n _NP_
-machinefile _HOSTS_
_EXEC_"</div>
<div dir="ltr"><br>
<div><span
style="font-size:12.8px">As
in one of the thread
Prof. Peter suggested
to u</span>se "ifort +
slurm". <br>
</div>
<div><br>
</div>
<div>Yes, I just installed
Wien2k_18.2 at NERSC
with ifort+slurm system
environment.</div>
<div><br>
</div>
<div>and the mpirun
command is now "srun -K
-N_nodes_ -n_NP_
-r_offset_ _PINNING_
_EXEC_"</div>
<div><br>
</div>
<div>But still I face same
error.</div>
<div><br>
</div>
<div>The error is same and
it does't matter if we
have mpirun or srun [1].
Only srun and mpirun
word changes in the
error.<br>
</div>
<div><br>
</div>
<div><br>
</div>
In the past I faces same
error and cluster admin
only could solve so let us
first write to cluster
admin and will update here
the final outcome.</div>
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</div>
<div>If you have any advice
that can help to get rid
of this issue please let
us know.</div>
<div><br>
</div>
[1]</div>
<div dir="ltr">srun: error: No
hardware architecture
specified (-C)!<br>
srun: error: Unable to
allocate resources:
Unspecified error<br>
srun: fatal: --relative
option invalid for job
allocation request<br>
srun: error: No hardware
architecture specified (-C)!<br>
srun: error: Unable to
allocate resources:
Unspecified error<br>
LAO.scf1up_1: No such file
or directory.<br>
grep: No match.<br>
srun: fatal: --relative
option invalid for job
allocation request<br>
srun: error: No hardware
architecture specified (-C)!<br>
srun: error: Unable to
allocate resources:
Unspecified error<br>
LAO.scf1dn_1: No such file
or directory.<br>
grep: No match.<br>
LAPW2 - Error. Check file
lapw2.error<br>
cp: cannot stat '.in.tmp':
No such file or directory<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
<br>
> stop error<br>
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</blockquote>
<blockquote type="cite"
cite="mid:CAJYci+S_E0q1pbLoUaAqK90=fXYTtnpz8_xgSMDvnmUynOaavA@mail.gmail.com"></blockquote>
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