[QE-users] Phonons with images
Malte Sachs
malte.sachs at chemie.uni-marburg.de
Mon Feb 25 13:53:06 CET 2019
Dear all,
I have tested the image-example for phonon calculations using
QuantumEspresso 6.3. In the case I am using these commands:
mpirun -np 4 pw.x < ...
mpirun -np 4 ph.x -ni 2 < ...
mpirun -np 4 ph.x < ....
everything works fine. However, using this:
mpirun -np 2 pw.x < ...
mpirun -np 4 ph.x -ni 2 < ...
mpirun -np 2 ph.x < ....
yields an error in the last step: "pw.x run with a different number of
processors. Use wf_collect=.true." However, I have the same number of
processors in pw.x and ph.x and the wf_collect option is activated by
default. So I don't know what is going on.
Best regards,
Malte Sachs
--
Malte Sachs
Anorganische Chemie, Fluorchemie
Philipps-Universität Marburg
Hans-Meerwein-Straße 4
35032 Marburg (Paketpost: 35043 Marburg)
Tel.: +49 (0)6421 28 - 25 68 0
http://www.uni-marburg.de/fb15/ag-kraus/
-------------- next part --------------
A non-text attachment was scrubbed...
Name: malte_sachs.vcf
Type: text/x-vcard
Size: 379 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190225/f24d4115/attachment.vcf>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: smime.p7s
Type: application/pkcs7-signature
Size: 5303 bytes
Desc: S/MIME Cryptographic Signature
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190225/f24d4115/attachment.p7s>
More information about the users
mailing list