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Dear Pang Rui,
<div>did you check that you are running pw2wannier90.x with the same number of CPUs (and same parallelization options) of the pw.x code?</div>
<div>In case, you can also try to re-run pw.x with the wf_collect flag set to True to see if things change.</div>
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<div>Best,</div>
<div>Giovanni Pizzi</div>
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<div>-- </div>
<div>Giovanni Pizzi<br>
Post-doctoral Research Scientist<br>
EPFL STI IMX THEOS<br>
MXC 340 (Bātiment MXC)<br>
Station 12<br>
CH-1015 Lausanne (Switzerland)<br>
Phone: +41 21 69 31124<br>
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<div>On 16 Nov 2014, at 17:37, Pang Rui wrote:</div>
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<div>Dear all<br>
I am working on a slab system that contains 73 Ni and 60 C. When I use<br>
pw2wannier90.x the code always ends at the first <br>
Program PW2WANNIER v.5.1.1 starts on 17Nov2014 at 0:19:21 <br>
<br>
This program is part of the open-source Quantum ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>",
<br>
in publications or presentations arising from this work. More details<br>
at<br>
<a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a><br>
<br>
Parallel version (MPI), running on 48 processors<br>
R & G space division: proc/nbgrp/npool/nimage = 48<br>
and show message like<br>
mpirun noticed that process rank 0 with PID 41687 on node fn002 exited on<br>
signal 11 (Segmentation fault)<br>
I do not think it is because insufficient memory because the pwscf.save is<br>
only 4M. Did anyone meet this problem before? <br>
<br>
The following is the input file<br>
&inputpp <br>
outdir = './'<br>
seedname = 'ni_down'<br>
spin_component = 'down'<br>
write_mmn = .true.<br>
write_amn = .true.<br>
<br>
-- <br>
PostDoc<br>
Department of Physics, South University of Science and Technology of China<br>
Shenzhen, Guangdong, PRC, 518500<br>
_______________________________________________<br>
Wannier mailing list<br>
<a href="mailto:Wannier@quantum-espresso.org">Wannier@quantum-espresso.org</a><br>
http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier<br>
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