omp 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
San
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
.stdout1_$loop
allclock=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
>
dy been 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 da
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 a
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 Ma
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
&g
t
factors 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
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
Dear wien2k users
I want to use scan exchange correlation for optimization of binary
semiconductors(GaP).But the lattice constant varies with Rkmax at third decimal
place even on increasing rkmax up to 11 and increasing ifft enhancement factor
up to 4 in case.in0.although the E-V graph is smooth
That's due to nearest neighbour distance is less than the sum of rmt's in
structure, so reduce them.
Sandeep Kumar
From: "Arvind Kumar"arvindku...@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 us
//www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15361.html
but didn't get the answer.
the initial structure file and 2Doptimize.job file is attached herewith.
please suggest some solution.
Sandeep Arora
PhD scholar
Ch Devi Lal University Sirsa (India)
2D_initial.struct
Descripti
14 matches
Mail list logo
