specific reason for this error?
Regards,
Kanka
Kanka Ghosh
Postdoctoral Researcher
I2M-Bordeaux
University of Bordeaux, CNRS UMR 5295
Site: Ecole Nationale Supérieure des Arts et Métiers
Bordeaux-Talence 33400
From: "Lorenzo Paulatto"
To: "users"
Sent: Friday, Dece
Dear Lorenzo,
Yes it took little more than 5 days to compute only the first q-point. anyway
it seems that I should use 1x1x1 grid instead of 2x2x2. But are you suggesting
to do the single mode calculation with 1x1x1 grid or the "mode=full" using the
1x1x1 grid?
Regards,
Kanka
K
Maybe for such a large system you can get some decent force-constants already
from (0,0,0) alone"
In that case, you mean to implement the "mode=gamma-only" tag?
Regards,
Kanka
Kanka Ghosh
Postdoctoral Researcher
I2M-Bordeaux
University of Bordeaux, CNRS UMR 5295
S
herwise ". Also,
if the number of processors is the issue, then shouldn't it be stopped
immediately?
Any suggestions to solve this issue?
Thanks in advance for your help,
Regards,
Kanka
Kanka Ghosh
Postdoctoral Researcher
I2M-Bordeaux
University of Bordeaux, CNRS UMR 5295
Site: Ecole
Thanks Lorenzo! Meaning I can just use the keyword restart=.true. in d3q input
for resuming the calculation ?
Regards,
Kanka
Kanka Ghosh
Postdoctoral Researcher
I2M-Bordeaux
University of Bordeaux, CNRS UMR 5295
Site: Ecole Nationale Supérieure des Arts et Métiers
Bordeaux-Talence 33400
time. Therefore, is there
any keyword in d3q input which can restart my run after it gets stopped after a
certain time? Like recover=.true. options?
Can anybody help to overcome this issue ?
Thanks in advanced,
Regards,
Kanka
Kanka Ghosh
Postdoctoral Researcher
I2M-Bordeaux
University
in MAC
Just modify clib/stack.c in such a way that it does nothing, e.g.,
void remove_stack_limit_(void) {;}
It's used only by the Intel compiler actually
Paolo
On Tue, Nov 26, 2019 at 11:45 AM Kanka Ghosh < [
mailto:kanka.gh...@u-bordeaux.fr | kanka.gh...@u-bordeaux.fr ] >
ries using the Intel
Fortran compilers and MKL libraries on Macs. I never succeeded with GCC. Can
you please send your MAKE.inc file?
Thanks,
Will DeBenedetti
Cornell University
On Tue, Nov 26, 2019 at 5:45 AM Kanka Ghosh < [
mailto:kanka.gh...@u-bordeaux.fr | kanka.gh...@u-bordeaux.fr ] >
Hello,
I am trying to install quantum espresso in iMac (macOS Mojave, version
10.14.6). While it configured properly, I am facing some issues while compiling
with make all or make pw or any make command. It is showing the following error
after executing make all command :
make all
