supercell is working perfectly. And sometime with same set up it is working
also.
aycibin@aycibin-CELSIUS-M740:/media/aycibin/depo/Wien2k/znom$ cat *.error
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
** Error
, check with eg. "top" how much memory is used/free
in the lapw1 step.
Am 2/3/21 um 11:03 AM schrieb Murat Aycibin:
have been trying to run SCF of ZnO with Mg. I have built ZnO supercell
and replace one Zn with Mg. after that, i have done initial calculation.
everything is fine and no err
same
set up it is working also.
aycibin@aycibin-CELSIUS-M740:/media/aycibin/depo/Wien2k/znom$ cat
*.error
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
** Error in Parallel LAPW1
** LAPW1 STOPPED at
azam
wrote:
> Dear all
> Please help me, I got the following error during my calculation.
> ** Error in Parallel LAPW1
> ** LAPW1 STOPPED at Thu Nov 20 16:18:11 CET 2014
> ** check ERROR FILES!
> Error in LAPW1
> 'SPHBES' - Error
> Error in LAPW1
> &#
Dear allPlease help me, I got the following error during my calculation.**
Error in Parallel LAPW1** LAPW1 STOPPED at Thu Nov 20 16:18:11 CET 2014**
check ERROR FILES!Error in LAPW1 'SPHBES' - ErrorError in LAPW1 'SPHBES' -
ErrorError in LAPW1 'SPHBES'
Respected all
I am runing the scf for mBJ but this give me the error "x lapw1.error"
when i checked that error so this was written
** Error in Parallel LAPW1
** LAPW1 STOPPED at Wed Apr 10 19:29:04 CEST 2013
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy l
Dear WIEN users,
I am using WIEN10.1 to calculate the CO(C5H5)2 (structure file is attached).
However, I always got error message during lapw1 process. There is no detailed
error information in the lapw1.error file except for "Error in LAPW1". The
Dayfile and STDOUT messages are
> when i checked that error so this was written
>
> ** Error in Parallel LAPW1
> ** LAPW1 STOPPED at Wed Apr 10 19:29:04 CEST 2013
> ** check ERROR FILES!
> Error in LAPW1
> 'SELECT' - no energy limits found for L= 1
> 'SELECT' - E-bottom -1.51200
user=0 wallclock=0
0.095u 0.172s 0:03.40 7.6% 0+0k 0+232io 0pf+0w
cd ./nmr_pqx ... x lapw1 -nmr -p -scratch /home/chung/scratch/
starting parallel lapw1 at Mon Aug 11 14:32:01 JST 2014
-> starting parallel LAPW1 jobs at Mon Aug 11 14:32:01 JST 2014
running LAPW1 in parallel mo
found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weights written
LAPW2 END
LAPW2 END
LAPW2 END
LAPW2 END
SUMPARA END
CORE END
MIXER END
ec cc and fc_conv 0 0 1
in cycle 2ETEST: 0 CTEST: 0
hup: Command not found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1
Dear all
Please help me, I am facing this problem
** Error in Parallel LAPW1
** LAPW1 STOPPED at Thu May 29 09:29:44 CEST 2014
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 2
'SELECT' - E-bottom -200.
:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
granularity:1
extrafine:1
omp_global:8
omp_lapw1:1
omp_lapw2:1
I got error at the first cycle. The lapw1.error file showed:
** Error in Parallel LAPW1
** LAPW1 STOPPED at Mon 18 Sep 23:22:37
IEN users,
>
> I am using WIEN10.1 to calculate the CO(C5H5)2 (structure file is attached).
> However, I always got error message during lapw1 process. There is no
> detailed error information in the lapw1.error file except for "Error in
> LAPW1". The Dayfile and S
Dear User
Please help me, how to solve this problem
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Jun 27 10:34:50 CEST 2014
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 2
'SELECT' - E-botto
Dear All
please help me how to solve this problem
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Jul 10 18:16:53 CEST 2015
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
'SELECT' - E-bottom -3.02345 E-top -200.0
Err
etra.def failed" error only):
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
FERMI - Error
forrtl: severe (24): end-of-file during read, unit 4, file
/home/chin/wien_data/must/test.qtl
Image PC Routine Line
CTEST: .8195906
LAPW0 END
LAPW1 END
LAPW1 END
LAPW2 END
LAPW2 END
CORE END
CORE END
MIXER END
in cycle 13ETEST: .123091575000 CTEST: .6783106
LAPW0 END
LAPW1 END
LAPW1 END
LAPW2 END
LAPW2 END
CORE END
CORE END
forrtl: severe (64): input conversion error, unit 47, file
/home/saadaoui
calhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
1:localhost
granularity:1
extrafine:1
omp_global:8
omp_lapw1:1
omp_lapw2:1
I got error at the first cycle. The lapw1.error file showed:
** Error in Parallel LAPW1
** LAPW1 STOPPED at Mon 18 Sep 23:22:3
the case folder. What I did
is just:
cd ~/case
run_lapw -p -ec 0.0001
It ran for a few seconds and I read from the screen:
LAPW0 END
LAPW1 - Error
LAPW1 - Error
LAPW1 - Error
LAPW1 - Error
LAPW1 - Error
> stop error
then I checked the lapw1_1.error:
'INILPW' - can't open
. For the two atom systems
it is running fine (Example TiC ), but when I am running more than two
atom system I am getting error in lapw1.
Here is my dayfile
> lapw1 -p (11:07:49) starting parallel lapw1 at Fri Mar 16 11:07:49 IST
> 2012
-> starting parallel LAPW1 jobs at Fri Mar 16
Now we start mixing up things (and probably many different test runs
on your side).
You said you can run without parallelization ?
in such a case you MUST be able to run "x lapw1" (or,
once you have lapw1.def created by the first x lapw1 call),
"lapw1 lapw1.def"
program.
But every time the program stopped with the following error messages
shown in the dayfile:
> stop error
error: command /Wien2K09/lapw1 lapw1.def failed
> lapw1 (12:00:46) 0.254u 0.011s 0:00.37 70.2% 0+0k 4216+672io 20pf+0w
> lapw0 (12:00:42) 3.022u 0.026
> >>> Dear WIEN users,
> >>>
> >>> I am using WIEN10.1 to calculate the CO(C5H5)2 (structure file is
> attached). However, I always got error message during lapw1 process.
> There is no det
The ".in.tmp" message is just a follow-up of the real problem.
However, from the info you provided one cannot see anything.
Check *output2* files, all error file,...
Dong Su schrieb:
> Dear users:
>
> In addition to the last e-mail. I want to add more information about the
GaAs does not have inversion symmetry, thus it should use case.in1c and not
case.in1.
Check your struct file (for inversion), and lapw1.def. In the latter case.in1c
should
be listed. Eventually you have the same problem in x_lapw as was listed before
on the
mailing list, when "auto
Dear All
Please help me in fixing the following error
** Error in Parallel LAPW1 ** LAPW1 STOPPED at Sun Oct 25 18:30:40 CET 2015
** check ERROR FILES! Error in LAPW1 'SELECT' - no energy limits found for
atom 1 L= 0 'SELECT' - E-bottom -200.00000 E-top -200.0 Error in
Dear Prof. Laurence Marks
Thank you for your reply.
I tried to run the program for the case which I was sure about it and it
has been run on other system.
Unfortunately, it was stopped at the first cycle in lapw1 with the
following error:
> stop error
lapw1 00404
Dear all:
I am experiencing a problem with the (k-point) parallel version of lapw1 in the
newest WIEN2K, version 12. lapw1 works fine in single processor mode but when
I go to run lapw1 -p I get the error messages below.
I was using the 2010 version of WIEN2K and did not have these problems
END
LAPW2 END
LAPW2 END
LAPW2 END
LAPW2 END
SUMPARA END
CORE END
MIXER END
ec cc and fc_conv 1 1 0
in cycle 2ETEST: 0 CTEST: 0
*#bla, bla, bla bla...*
in cycle 41ETEST: .13710000 CTEST: .0097762
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 EN
0.0001 -p. lapw0 executes properly, however lapw1 gives the
error:
(1) in febcc.dayfile:
> lapw1 -ncm -p (11:51:51) starting parallel lapw1 at Fri May 11
> 11:51:51 EDT 2012
-> starting parallel LAPW1 jobs at Fri May 11 11:51:51 EDT 2012
running LAPW1 in parallel mode
Dear wien2k users,
I have calculated a structure of 66atoms, however, after several decades SCFs,
an error was coming in lapw1.error. The detailed error is followed as:
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Jul 5 08:33:04 CST 2013
** check ERROR FILES!
Error in LAPW1
'S
errors
x lapw1c -nmat_only STOP LAPW1 - Error
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
and when I edit the error file
cat lapw1.error
Error in LAPW1
'INILPW' - can't open unit: 18
'INILPW' -
, nmr_q0 was created and I got an errors in LAPW1. The
error was below:
** Error in Parallel LAPW1
** LAPW1 STOPPED at Tue Sep 11 16:52:39 IDT 2018
** check ERROR FILES!
Error in LAPW1
and the output details are:
klist ready
nmr: klists done
cd ./nmr_q0 ... x lapw1 -nmr
Hello,
I am getting a divide by zero error in the lapw1 routines.
I compiled with the ifort 10 and mkl 9 compilers. To compile
completely with no errors, I had to make the following changes n
SRC_lapw1/hamilt.F program below for me using an older compiler.
! in case of older mk/vml you may
Dear users,
I have performed a simple scf calculation for SrTiO3 using Wien2k_08. If I
run scf with k point set to 100, it runs smoothly. But when I increase the
number of k point to 1000 or 1, it stops and shows error:
LAPW0 END
SELECT - Error
> stop error
In *lapw1.error* f
or
>
> 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>
>
> and when I edit the error file
>
> cat lapw1.error
>
> Error in LAPW1
>
> 'INILPW' - can't open unit: 18
>
> 'INILPW' - filename: W100_pentacene.vsp
>
> 'INILPW&#x
does not allow make Tasks!!
Also, on the advice of Dr. Lyudmila Dobysheva, I change bsd-csh to tcsh in
Lapw1, but neither worked.
What should be the procedure to follow to correct the error?
J. Camargo
Department of Physics
CINVESTAV-Mexico
De: Peter Blaha
Para
thanks sir it now works but now x lapw2 -qtl is giving error.i hd attached
LAPW2 - Error file along with the mail.
asverma at asverma-desktop:~/WORK/ni$ runsp_lapw -cc 0.0001
hup: Command not found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW2 END
LAPW2 END
CORE END
CORE END
MIXER END
in
Dear users:
In addition to the last e-mail. I want to add more information about the lapw2
crashed in parallel mode on my case:
1
The RuO2_super_scf.output file(feedback from the bash commond ) is as follows:
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1
It is a possibility. In case of LAPW1 it can be lapw1.error, but it can also be
uplapw1.error, or uplapw1_1.error, or uplapw1_2.error, etc. Some error files
could be in place from a previous run. Maybe there is a more elegant solution?
From: Wien on
LAPW2 END
LAPW2 END
LAPW2 END
LAPW2 END
SUMPARA END
CORE END
MIXER END
ec cc and fc_conv 0 0 1
in cycle 3ETEST: 0 CTEST: 0
hup: Command not found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weights written
L2main - QTL-B Error
L2main - QTL-B Error
L2mai
Sorry, my fault. One hase to change into the proper dir.
ssh node "cd /dir/subdir/workingdir ; lapw1 lapw1.def"
> ssh node "lapw1 lapw1.def" results in LAPW1 - Error. The lapw1.error file
> reads
>
> 'INILPW' - can't open unit: 18
>
FAQ).
>> >>
>> >> N.B., you may need to use .lcore or increase the RMT of the C
>> >> otherwise you lose some of the C 1s core electrons.
>> >>
>> >> 2011/4/28mailto:yangding at aps.anl.gov>>:
>> >>> Dear WIEN users,
>>
Thank you for the suggestions! Below is the end solution in python. The pattern
search is "*lapw1*.error" or "*lapwso*.error", etc. I hope it will work with
different spins or/and parallel error files. Also "*lapw1*.error" files get
cleaned up before executing LAPW
s file I used the following:
>
> 1:localhost
>
> 1:localhost
>
> 1:localhost
>
> 1:localhost
>
> 1:localhost
>
> 1:localhost
>
> 1:localhost
>
> 1:localhost
>
> granularity:1
>
> extrafine:1
>
> omp_global:8
>
> omp_lapw1:1
>
&g
.
Unfortunately, it was stopped at the first cycle in lapw1 with the
following error:
> stop error
lapw1 00404A4E Unknown Unknown Unknown
libc.so.6 1455524B30B3 Unknown Unknown Unknown
lapw1 00404B4C Unkn
Dear Colleagues,
I want to run wien2k_07.3 in mpi parallelization. The lapw0para is OK.
However, lapw1para stop with error.
My .machines file is as following:
.machines
#
1:node17.emlab
1:node13.emlab
lapw0:node17.emlab node13.emlab
lapw1:node17.emlab node13.emlab
lapw2:node17
The information that you provided is inadequate, so nobody can help
you. Additional information from STDOUT, case.dayfile, and/or the
*.error files is needed to diagnose such an error.
Search the mailing list archive at the following link for Error in LAPW1
as the problem you are facing was
eg_user/faq/scf.html ].
On 7/10/2015 10:19 AM, sikander Azam wrote:
Dear All
please help me how to solve this problem
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Jul 10 18:16:53 CEST 2015
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy limits found for atom 12 L= 2
you can run without parallelization ?
in such a case you MUST be able to run "x lapw1" (or,
once you have lapw1.def created by the first x lapw1 call),
"lapw1 lapw1.def"
the error message is quite obvious:
the file test.vsp does NOT exist !! (of course it does not exist
004088BC Unknown Unknown Unknown
libc.so.6 0037B541ECDD Unknown Unknown Unknown
lapw1 004087B9 Unknown Unknown Unknown
> stop error
I tried again. But this time scf was successful but unable to run x lapw1 -band
Dear F. Tran Sir,
I followed your advice and I calculated the properties in this order: DOSS,
optical and band structure.for DOS I do not see any problem now. I also see the
band structure seems calculated but with an error message and I am getting
error for optical prop and the error message
w seconds and I read from the screen:
>
> LAPW0 END
> LAPW1 - Error
> LAPW1 - Error
> LAPW1 - Error
> LAPW1 - Error
> LAPW1 - Error
>
> > stop error
>
> then I checked the lapw1_1.error:
>
> 'INILPW' - can't open unit:
> 10
].
On 10/25/2015 11:34 AM, sikander Azam wrote:
Dear All
Please help me in fixing the following error
** Error in Parallel LAPW1 ** LAPW1 STOPPED at Sun Oct 25 18:30:40 CET
2015 ** check ERROR FILES! Error in LAPW1 'SELECT' - no energy limits
found for atom 1 L= 0 'SELECT' -
I actually did that, I figured you just forgot it :)
Still, I get the lapw1.error I showed you.
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at] im Auftrag von Peter Blaha [pblaha at
theochem.tuwien.ac.at
) needs actually 3
times as long.
This usually means that i) your memory is insufficient, or ii) somebody else is
using the same node too
or iii) it is not a real 8-core but eg. only a 4 core node.
In any case, the error is in lapwso (which is never mpi-parallel), and it seems
rather clear, that
k users
> *Enviado:* mi?,10 noviembre, 2010 05:08
> *Asunto:* Re: [Wien] GaAs: error SCF!!
>
> GaAs does not have inversion symmetry, thus it should use case.in1c and
> not case.in1.
>
> Check your struct file (for inversion), and lapw1.def. In the latter
> case.in1c should
&
still. For complex calculations
(non-centrosymmetric structure), the -c is dropped for the second iteration
and the calculation results in an error. Here are the .dayfile and .stdout.
You will notice that for complex calc the .in1c is used for iteration 1,
then for iteration 2 it is looking for .in1
Hi,
For band structure:
the error message about the QTL stuff is important only if you are
interested in showing also the character of the bands in the plot.
If this is the case then, execute run_bandplothf_lapw with "-qtl":
run_bandplothf_lapw -p -qtl.
For optics:
Are you using a d
nning
scf calculations.
__
hup: Command not found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weights written
LAPW2 END
LAPW2 END
LAPW2 END
LAPW2 END
SUMPARA END
CORE END
MIXER END
ec cc and fc_conv 0 0 1
in cycle 2 ETEST: 0 CTE
dear dr. Blaha and wien2k users
I have maked a graphane structure with atom by atom positions in unit cell (for
core hole approximate).
when I run scf, this error appears:
** Error in Parallel LAPW1
Error in LAPW1
'LOPW' - Plane waves exhausted
Error in LAPW1
'LOPW' - P
Dear Colleagues,
I want to run wien2k_07.3 in mpi parallelization. The lapw0para is OK.
However, lapw1para stop with error.
My .machines file is as following:
.machines
#
1:node17.emlab
1:node13.emlab
lapw0:node17.emlab node13.emlab
lapw1:node17.emlab node13.emlab
lapw2:node17
ry time the program stopped with the following error messages
> shown in the dayfile:
>
>> ? stop error
>
> error: command ? /Wien2K09/lapw1 lapw1.def ? failed
>> ? lapw1 ? ? ? (12:00:46) 0.254u 0.011s 0:00.37 70.2% ?0+0k 4216+672io 20pf+0w
>> ? lapw0 ? ? ? (12:00
emote
execution/ssh/mpi which does not work. I think in the cases you sent
there is sufficient information to debug; I suspect an issue with
directory names and/or mount.
Suggestion to Peter: perhaps add a "echo Startup Error >
lapw1[0-2].error" in lapw1[0-2]para to catch this?
_
your help,
>
> Jason Vielma
>
>
>
> Quoting Robert Kykyneshi :
> Jason,
>
> There seems to be a problem still. For complex calculations
> (non-centrosymmetric structure), the -c is dropped for the second iteration
> and the calculation results in an error. Here are
On 11.05.2012 22:12, Hena Das wrote:
> (2) In lapw1.error:
> ** Error in Parallel LAPW1
> ** LAPW1 STOPPED at Fri May 11 11:51:59 EDT 2012
> ** check ERROR FILES!
Dear Hena Das,
Try and repeat the calculation without -p option, that is without
parallel calculation, then the diagno
d not found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weights written
LAPW2 END
LAPW2 END
LAPW2 END
LAPW2 END
SUMPARA END
CORE END
MIXER END
ec cc and fc_conv 0 0 1
in cycle 2ETEST: 0 CTEST: 0
hup: Command not found.
LAPW0 END
LAPW1 END
LAPW1 END
L
Dear wien2k experts,
I got following error while running "x lapw1 -p"
starting parallel lapw1 at Sun Aug 14 01:26:54 IST 2016
-> starting parallel LAPW1 jobs at Sun Aug 14 01:26:54 IST 2016
running LAPW1 in parallel mode (using .machines)
*@: Expression Syntax.*
0.042u 0.838s
anularity:1
extrafine:1
Then the LAPW1 can run in parallel.
Does this mean that lapw1/2 can only be run in k-point parallel mode, not fine
grain MPI mode?
How ever, I still got the following error in TiC.dayfile:
4 number_of_parallel_jobs
nx1(11) 0.226u 0.017s 0.31 76.18% 0+0k 0+0io 0p
0044A073 MAIN__ 42
> lapw1_tmp_.F
> lapw1 00413B4E Unknown Unknown Unknown
> libc.so.6 2AC6DB9C1C4D Unknown Unknown Unknown
> lapw1 00413A69 Unknown Unknown
LAPW2 END
> SUMPARA END
> CORE END
> MIXER END
> ec cc and fc_conv 1 1 0
> in cycle 2ETEST: 0 CTEST: 0
>
> *#bla, bla, bla bla...*
>
> in cycle 41ETEST: .1371 CTEST: .0097762
> LAPW0 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAP
> > On 11.05.2012 22:12, Hena Das wrote:
> >> (2) In lapw1.error:
> >> ** Error in Parallel LAPW1
> >> ** LAPW1 STOPPED at Fri May 11 11:51:59 EDT 2012
> On 14.05.2012 20:19, Hena Das wrote:
> > I tried to do without -p option, i.e serial run, it wor
Hi Lyudmila Dobysheva,
lapw1 has created some of the files, such as .processes, .machine1, .machine2,
lapw*.def, lapw1.error, script. However .machine1 and .machine2 files are
empty, which is supposed to be not the case. I have not received any messages
in /var/mail/my_account regarding the
Has anyone encountered (and perhaps fixed) an error in lapw2? I am running a
spin polarized calculation, spin-orbit included, for Fe5Ce. The scf run worked
fine and I get converged results. However, when I then go to run a single
cycle (to get orbital moments), I get the following error. It
p_.F
lapw1 0040C242 Unknown Unknown Unknown
libc.so.6 0034FCA1D994 Unknown Unknown Unknown
lapw1 0040C169 Unknown Unknown Unknown
> stop error
I was wondering if anyone could help me.
Thanks in advance.
p_.F
lapw1 0040C242 Unknown Unknown Unknown
libc.so.6 0034FCA1D994 Unknown Unknown Unknown
lapw1 0040C169 Unknown Unknown Unknown
> stop error
I was wondering if anyone could help me.
Thanks in advance.
Dear, Prof. Blaha,
Thanks for your helps and comments about parallel running in SMP system. I
could solve the problems of running in parallel mode with modifying set up
files of ssh and sshd and changing .machines file.
In this time, I have faced a problem of occurring error on SCF
rep on it in lapw1para for the two cases.
On Mon, Aug 6, 2012 at 9:24 AM, Parker, David S. wrote:
> Dear all:
>
> I am experiencing a problem with the (k-point) parallel version of lapw1 in
> the newest WIEN2K, version 12. lapw1 works fine in single processor mode but
> when
&g
-
>
> Quoting Robert Kykyneshi :
> Jason,
>
> There seems to be a problem still. For complex calculations
> (non-centrosymmetric structure), the -c is dropped for the second iteration
> and the calculation results in an error. Here are the .dayfile and .stdout.
> You w
;x_nmr_lapw -mode in1 -focus O"),
> I got errors. Howver, nmr_q0 was created and I got an errors in LAPW1.
> The error was below:
>
> ** Error in Parallel LAPW1
> ** LAPW1 STOPPED at Tue Sep 11 16:52:39 IDT 2018
> ** check ERROR FILES!
> Error in LAPW1
>
> and t
libc.so.6 2AC6DB9C1C4D Unknown Unknown Unknown
lapw1 00413A69 Unknown Unknown Unknown
> stop error
***
In the dayfile I get t
NMR chemical shift of
all atoms in NaCaPO4. The scf finished nicely (in parallel mode),
but when I did "x_nmr_lapw -p " (after "x_nmr_lapw -mode in1 -focus
O"), I got errors. Howver, nmr_q0 was created and I got an errors in
LAPW1. The error was below:
** Error in Para
?Lapw0 end
lapw1 - error"
Following is in detail.
* System is Core2 Duo with SUSE 10,
wien2k version:8
opt/intel/fce/10.1.008 ifort for fortran
opt/intel/mkl/10.0.010 for mkl
opt/intel/cce/10.1.01
cylinders.
please consider that removing of the energy parameter was one of the
changes that i used to
solve the problem.
(2) at first i got an lapw1 error
Error in Parallel LAPW1
** LAPW1 STOPPED at Sat Jan 25 12:28:03 +0330 2020
** check ERROR FILES!
'SELECT' - no energy limits
.machines
file:
granularity:1
lapw0: machine1 machine2
1:machine1 machine2
Extrafine:1
It crashed with error messages in file “lapw1.error” as
**. Error in Parallel LAPW1’
**. LAPW1 STOPPED
26 03:10:34 EST 2008
> Sat Jan 26 03:10:34 EST 2008 -> Setting up case case for parallel execution
> Sat Jan 26 03:10:34 EST 2008 -> of LAPW1
> Sat Jan 26 03:10:34 EST 2008 ->
> running LAPW1 in parallel mode (using .machines)
> Granularity set to 1
> Extrafine set
Exactly.
In run_lapw we define an alias (tcsh syntax, in bash it is slightly
different) like:
alias testerror 'if (! -z \!:1.error) goto error'
and with
x lapw1
testerror lapw1
you can catch a problem.
Instead of "goto error" you could also do something else.
P
Dear all,
When we calculate the layer structre of P, we get the following erro :
** Error in Parallel LAPW1
** LAPW1 STOPPED at Wed Apr 22 23:51:41 CST 2015
** check ERROR FILES!
Error in LAPW1
Cholesky INFO =1
'SECLR4' - POTRF (Scalapack/LAPACK) failed.
Error in LAPW1
It is not clear from your email where the error was. Please look (ls) for a
non-zero error file (cat *.error). In many cases this will tell you what
the error is. Most errors are in user parameters, and the error message
will tell you what to do. Most others have already been discussed on the
list
> stop error
Would you please guide me?
Thanks a lot.
Regards,
Mohaddeseh
On Fri, Apr 24, 2020 at 10:55 PM Laurence Marks
wrote:
> It stopped in lapw1. Reinitialize and try again, accepting all defaults.
> It may be that it was run with an old version, or something else was
> wrong
On 01/08/2014 01:20 AM, Oleg Rubel wrote:
I wonder if anybody can reproduce this error?
I can. I used only MPI-parallelism:
$ cat .machines
1: localhost localhost
$ x lapw1 -up -p
w2k_dispatch_signal(): received: Segmentation fault
$ cat uplapw1.error
** Error in Parallel LAPW1
** LAPW1
dicates that
> something is likely wrong with the struct file [
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10860.html
> ].
>
>
> On 10/25/2015 11:34 AM, sikander Azam wrote:
>
> Dear All
> Please help me in fixing the following error
> ** Error in Parall
and. If it is not
> "0", there is a problem (like in this case, there is no "oleg" file).
>
> Now I try to apply the same strategy to WIEN2k:
>
> [rubel@gra-login3 lambda1]$ x lapw1
> LAPW1 - Error
> 0.001u 0.018s 0:00.06 16.6% 0+0k 23592+16io 67pf+0w
&
t Sun Aug 14 01:26:54 IST 2016
> -> starting parallel LAPW1 jobs at Sun Aug 14 01:26:54 IST 2016
> running LAPW1 in parallel mode (using .machines)
> @: Expression Syntax.
> 0.042u 0.838s 0:00.32 271.8%0+0k 0+0io 0pf+0w
> error: command /home/soumen/INSTALL-PACKAGES/wien2k_14_
0+0k 0+0io 0pf+0w
error: command /opt/wien2k/lapw1c lapw1.def failed
During execution of initialize calculation i kept every parameter by
default and my batch files seems to be OK
My DoS plot, electron density, volume optimization task were performed
very well.
But in band structure t
> stop error
#
And this is in the dayfile
#
> lapw1 (15:13:42) 0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
error: command /usr
lapw0 (02:24:23) 176.006u 3.565s 1:16.19 235.6% 0+0k
4264+103984io 22pf+0w
In error file it is written as "Error in LAPW1"
Failed here not lapw1.def, but command lapw1c with a standard argument
lapw1.def
You gave too little information. There should be some info, maybe in
case.dayf
r all:
>
> I am experiencing a problem with the (k-point) parallel version of lapw1 in
> the newest WIEN2K, version 12. lapw1 works fine in single processor mode but
> when
> I go to run lapw1 -p I get the error messages below.
>
> I was using the 2010 version of WIEN2K and
r F. Tran Sir,
>
>I followed your advice and I calculated the properties in this order: DOSS,
>optical and band structure.
>for DOS I do not see any problem now. I also see the band structure seems
>calculated but with an error message and I am getting error for optical
>prop an
blems of running in parallel mode with modifying
> set up files of ssh and sshd and changing .machines file.
>
>
>
> In this time, I have faced a problem of occurring error on SCF running
> with modifying case.inc and case.in2 files to introduce core hole effect
> on E
1 - 100 of 2454 matches
Mail list logo
