from 1
to 8 , %age use of cpu's does not increase in the same scale (omp=2, 170to
180% , omp=4 ,300 to 330% omp=8 only 500 to 550%).
is something wrong in configuring or compiling the softwares or due to some
limitations in hardware.
Any suggestions?
regard
Sandeep Arora
Sorry, but I want to know how can we avoid the printing of this part
( ( $remote $machine[$p] "cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f .lock_$lockfile[$p] )
>& .stdout1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
lclock=3341.4
0.380u 0.267s 0:52.51 1.2% 0+0k 0+432io 2pf+0w
at the end of each lapw1.
regard
Sandeep Arora
On Mon, Dec 27, 2021 at 12:01 AM Gavin Abo wrote:
> In the .bashrc file you posted, I see:
>
> # If not running interactively, don't do anything
> case $- in
> *i*) ;;
&g
n run. Skipping re-execution.
To force a re-execution of setvars.sh, use the '--force' option.
Using '--force' can result in excessive use of your environment
variables.
plz suggest any solution.
thanks
Sandeep Arora
.bashrc
Description: Binary data
___
parallelization and omp (5.93 s/k-point vs 6.13s/k-pont). is it due to my
hardware limitations or i have done something wrong during compilation.
wien2k_options file is attached herewith.
Thanks
Sandeep Arora
WIEN2k_OPTIONS
Description: Binary data
___
Wien
Can an X-series processor like i9-10900x or i9-9900x with larger memory
bandwidth (94 GB/s and 85GB/s
vs 50GB/s for i9-11700k and i7-10700k) but slower RAM DDR42933 make faster
calculations.
Sandeep Arora
___
Wien mailing list
Wien
Dear wien2k user,
we are planning to purchase a system for
working on monolayer semiconductors consisting of 30 to 50 atoms in
supercell. We can't afford to purchase a cluster.
can we go for a system with I7-10870h processor Ram 32gb ssd 1tb.
Any suggestions would be
sphere radii have you used? Have you observed convergence
> with respect to RKmax?
>
> On Friday 2018-06-29 15:09, sandeep arora wrote:
>
> Date: Fri, 29 Jun 2018 15:09:59
> From: sandeep arora sndp.ar...@rediffmail.com
> Reply-To: A Mailing list for WIEN2k users
> wien@ze
functional
Hi,
>
> what is the radius of the Ga and P spheres?
>
> FT
>
> On Friday 2018-06-29 08:44, sandeep arora wrote:
>
> Date: Fri, 29 Jun 2018 08:44:48
> From: sandeep arora sndp.ar...@rediffmail.com
> Reply-To: A Mailing list for WIEN2k users
> wien@zeus
ors in addition to different rkmax and k-points.(correct me if i was wrong
in interpreting your suggestion).
Thanks
Sandeep
if that is required and examine your main property in the nodes of the
grid?
On Fri, 29 Jun 2018 14:22:06 +0530 Víctor Luaña Cabal wrote
>* sandeep arora [2
Ga 2.32
P 1.90
On Fri, 29 Jun 2018 12:37:53 +0530 t...@theochem.tuwien.ac.at wrote
>Hi,
what is the radius of the Ga and P spheres?
FT
On Friday 2018-06-29 08:44, sandeep arora wrote:
>Date: Fri, 29 Jun 2018 08:44:48
>From: sandeep arora
>Reply-To: A Mailing list for
That's due to nearest neighbour distance is less than the sum of rmt's in
structure, so reduce them.
Sandeep Kumar
From: Arvind Kumararvindku...@arsd.du.ac.in
Sent:Sat, 12 May 2018 09:19:15 +0530
To: wien@zeus.theochem.tuwien.ac.at
Subject: [Wien] (no subject)
Dear Prof. Blaha and Wien2k
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