Thank you so much Sir,
It is working now.
On Mon, Aug 17, 2020 at 10:13 PM Peeyush Kumar Kamlesh <
peeyush.physik@gmail.com> wrote:
> Dear Users,
> Greetings!
> I am using WIEN2k_19.1. I have successfully completed scf calculations
> using WC-GGA potential functional. But when I Use to do
will be very slow.
From: Wien on behalf of Peeyush Kumar
Kamlesh
Sent: Monday, August 17, 2020 6:43 PM
To: wien-requ...@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at
Subject: [Wien] Error in Parallel LAPW1 during mBJ calculations
Dear Users,
Greetings
Dear Users,
Greetings!
I am using WIEN2k_19.1. I have successfully completed scf calculations
using WC-GGA potential functional. But when I Use to do the same by
employing mBJ, then I get following error in lapw1 of the 3rd scf cycle:
-
** LAPW1 STOPPED at Mon Aug
Without knowing how you compiled it is hard to be certain. The output
indicates a problem in PDSYEVX (looking in the relevant program, seclr4.F.
>From a google search of the code, a "-N" indicates an error in the "N"
argument, which appears to be DESCZ. This suggests that you may have linked
to an
Dear WIEN2K developers and users,
I am running the latest WIEN2K_19.1 on a Linux machine with Intel 19.0.1.144
compiler set and MKL math libraries.
I ran a test on a water molecule, and it passed the serial execution.
However, when I ran it in parallel on two nodes with the following
at theochem.tuwien.ac.at
Subject: [Wien] Error in Parallel LAPW1 with Fe2O3
I am using the 2008 version of Wien2k. It always have errors when i conduct
the scf calculation of Alpha-Fe2O3.
It always has the error like:
Error file:
** Error in Parallel LAPW1
** LAPW1 STOPPED at Sat Apr 9 14:23
I am using the 2008 version of Wien2k. It always have errors when i conduct
the scf calculation of Alpha-Fe2O3.
It always has the error like:
*Error file:*
** Error in Parallel LAPW1
** LAPW1 STOPPED at Sat Apr 9 14:23:20 CST 2011
** check ERROR FILES!
'SELECT' - no energy limits found
PM
To: wien at zeus.theochem.tuwien.ac.at
Cc: pblaha at theochem.tuwien.ac.at
Subject: [Wien] Error in Parallel LAPW1 with Fe2O3
I am using the 2008 version of Wien2k. It always have errors when i conduct
the scf calculation of Alpha-Fe2O3.
It always has the error like:
Error file
8 matches
Mail list logo
