Thank You for the response.
Can I know how can I tackle this issue
Rutika Savaliya
From: users on behalf of Paolo
Giannozzi
Sent: Friday, July 2, 2021 10:56:36 AM
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Relaxation of W2N Error
On Fri, Jul 2
Hello,
I am trying to run relaxation calculation of a cif file from materials project,
mp-27943 on computecanada. Input file is as below and, I have attached the
error I am receiving. Please help me solve this error.
PS. Have attached the CRASH file.
Input:
calculation = "relax"
Hello users,
As a part of my project, I need to calculate the vibration for the slab I
prepared. I am calculating the vibrations by using ph.x along with pw.x
relaxation of the slab. The issue is it is taking a lot of time. Due to the
size of slab, I am running my calculation on cloud server.
Hello users,
As a part of my project, I need to calculate the vibration for the slab I
prepared. I am calculating the vibrations by using ph.x along with pw.x
relaxation of the slab. The issue is it is taking a lot of time. Due to the
size of slab, I am running my calculation on cloud server.
Hello users,
I am performing Slab relaxation and neb calculation including 40+ atoms.
Currently I am running calculation on ComputeCanada server, but it has some
issues so am switching to AWS EC2 service. I would like assistance in choosing
which instance best suites and reduces the
Dear colleagues,
I am currently running by NEB and phonon calculation on ComputeCanada. But I am
facing great trouble as to start the calculation and it keeps failing. So, I am
looking for other paid cloud service on which I can run my calculations
comprising of 2x2x2 supercell created.
Please
%%
Please give me some advice to successfully run my code .
Regards,
Rutika Savaliya
Department of Chemical Engineering
McGill University
Slab_Relax.in
Description: Slab_Relax.in
___
Quantum ESPRESSO is supported by MaX (www.max
for the calculation on cloud server of CEDAR
on COMPUTE CANADA.
Please give me some advice to solve this error.
Regards,
Rutika Savaliya
Department of Chemical Engineering
McGill University
MoN_neb.in
Description: MoN_neb.in
___
Quantum ESPRESSO
