[Wien] error 'n paralel lapw1

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

[Wien] (no subject)

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' - ErrorError in LAPW1 'SPHBES

[Wien] lapw2 crashed in parallel mode in super computer -2

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

[Wien] Error in NMR calculation

(using .machines) 1 number_of_parallel_jobs bash: -c: line 0: syntax error near unexpected token `makescratch_lapw' bash: -c: line 0: `if ( ! -e /home/chung/scratch/ ) makescratch_lapw /home/chung/scratch/' [1] 18735 LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END

[Wien] lapw1 failed

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 listed

Re: [Wien] error 'n paralel lapw1

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

Re: [Wien] error 'n paralel lapw1

, 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

[Wien] GaAs: error SCF!!

080482A1 Unknown Unknown Unknown lapw1 085AA840 Unknown Unknown Unknown lapw1 08048161 Unknown Unknown Unknown stop error Check GaAs.struct, I'm almost sure it is correct. I can not find the error. What am I doing

[Wien] LAPW Error!

085AAAD0 Unknown Unknown Unknown lapw1 08048161 Unknown Unknown Unknown stop error ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo

[Wien] problems with ssh/csh (or so) on a cluster

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 'INILPW' -filename: test.vsp 'INILPW' - status

Re: [Wien] (no subject)

sikandar...@yahoo.com 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 'SPHBES' - Error Error in LAPW1

[Wien] Problems with case.weighf file

, the calculation stopped when hf attempted to read in the aCGT.weighhf file. This file is 117,020 bytes long and it appears from the error message that there is not enough data in the file to satisfy the read statement at line 44 in read_weight. Does anyone have any suggestions as to what I might try next

[Wien] LOPW error

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' - Plane waves exhausted

[Wien] (no subject)

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 -200.0   E-top -200.0

[Wien] (no subject)

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-bottom -200.0   E-top

[Wien] Need your help

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 Error in LAPW1 'SELECT

[Wien] forrtl: severe (41): insufficient virtual memory

Dear all, I constantly got following error messages when the parallel job was submitted. I attach it. Also the generated .machines file attached, please check whether it is properly generated or not. I intended 24 k-point parallelized job. The compiler version is fortran : ifort, 12.0

[Wien] Fw: Question

Dear all  Please help me, I am facing this problem **  Error in Parallel LAPW1 **  LAPW1 STOPPED at Wed Jul 9 10:09:58 EDT 2014 **  check ERROR FILES! Error in LAPW1 Error in LAPW1___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http

[Wien] problems with ssh/csh (or so) on a cluster

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 the error message is quite

[Wien] about x lapw1 -nmat_only

but first I need to estimate the Wien2k memory requirements. I read that we need to use 'x lapw1 -nmat_only'. Si I have made the init_lapw process and after I wrote x lapw1 -nmat_only. I have the following errors x lapw1c -nmat_only STOP LAPW1 - Error 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w

[Wien] error in lapw1

dear users, please help me to solve the error in the lapw1 file, it reads as Error in LAPW1 'SELECT' - no energy limits found for L= 1 'SELECT' - E-bottom -200.0 E-top -200.0 hw can i solve it thanks in advance Ajay

[Wien] error in lapw1

Dear all, there is a error when i do lapw1. it said: 'INILPW' - can't open unit: 18 'INILPW' -filename: 001relaxed.vsp

[Wien] L2main - QTL-B Error

Dear Users, Greetings! I am using WIEN2k_19.1. I am running perovskite material of space group 225(Fm-3m) with 1 k-point and cutoff energy -7.0 Ry. I used RMT reduction 5% but I am getting the following error during running scf calculations. __ hup: Command

[Wien] GaAs: error SCF!!

lapw1 085436FA Unknown Unknown Unknown lapw1 08064B51 inilpw_ 361 inilpw.f lapw1 08066E8F MAIN__ 42 lapw1_tmp_.F lapw1 080482A1 Unknown Unknown Unknown lapw1 085AA840 Unknown Unknown Unknown lapw1 08048161 Unknown Unknown Unknown stop error Check GaAs.struct, I'm almost sure

Re: [Wien] Need help please

Dear Khan, Take a look on section 12 (Trouble Shooting) of the User's Guide. It will give you some hints on this problem. Good luck ! Luis 2013/11/7 kalsoom Khan kkkhan.qu...@yahoo.com Respected all I am runing the scf for mBJ but this give me the error x lapw1.error

[Wien] Wienncm

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 diagnostics in the lapw1

[Wien] stop error

the 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 0.026s 0:03.12 97.4

Re: [Wien] Problems with hybrid calculation

:2 granularity:1 extrafine:1 STDOUT  LAPW0 END  LAPW0 END cp: cannot stat `aCGT.kgen_fbz': No such file or directory cp: cannot stat `aCGT.klist_fbz': No such file or directory  LAPW1 END mv: cannot stat `aCGT.vector': No such file or directory cp: cannot stat `aCGT.kgen_ibz': No such file

[Wien] Run SCF for Supercell ZnO:Mg

Hi guys I 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 error. when i go for SCF i am getting below error > stop error grep: lapw2*.error: No such file or direct

[Wien] mpi-benchmark: LAPW1 crashed!

0pf+0w error: command /home/wien2k/versions/mpi/lapw1para lapw1.def failed -- Any help appreciated K. -- Neu: GMX Doppel-FLAT mit Internet-Flatrate + Telefon-Flatrate f?r nur 19,99 Euro/mtl.!* http://portal.gmx.net/de/go/dsl02

[Wien] LAPW1 in cycle 2

Dear users I have serious problems in the calculation of alloy 2Sb3Te. Aguns problem seems resolved and the problem arose, in cycle 2 stop error lapw1 08048161 Unknown Unknown Unknown lapw1 085AAAD0 Unknown Unknown Unknown lapw1 080482A1 Unknown Unknown Unknown lapw1 08066FDF MAIN__ 42

[Wien] lapw1 failed

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 listed as following. I will appreciate if you could provide any clue on this problem. regards, Yang Ding

[Wien] lapw1 divide by zero error

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

[Wien] The coming LAPW1.ERROR

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 'SELECT

[Wien] need your help

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 -200.0 E-top -200.0 Error in LAPW1 'SELECT

Re: [Wien] need your help

]. 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' - E-bottom -200.0

Re: [Wien] Problems with case.weighf file

. I have changed all of the nodes to have SCRATCH=./“ Again, the calculation stopped when hf attempted to read in the aCGT.weighhf file. This file is 117,020 bytes long and it appears from the error message that there is not enough data in the file to satisfy the read statement at line 44

[Wien] error

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

[Wien] Error in Lapw1 using mBJ

Dear Users I am having problem in executing a file with mBJ. Fallowing error comes in Lapw1. Kindly guide me how to correct this error Error in LAPW1 ?'SELECT' - no energy limits found for L= 0??? ?'SELECT' - E-bottom -200.0?? E-top -200.0??? Thank you

[Wien] Error in Lapw1 using mBJ

When does it occur? Directly at the 1st iteration or later? On Thu, 10 May 2012, Masood Yousaf wrote: Dear Users I am having problem in executing a file with mBJ. Fallowing error comes in Lapw1. Kindly guide me how to correct this error Error in LAPW1 ?'SELECT' - no energy limits

Re: [Wien] Error in parallel calculation

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

[Wien] Error in Band gap calculation with mBJ

Respected Prof. Mark and Wien2k users In my calculations mBJ-GGA was successfully executed after that I get this error in first step of band gap calulation i,e.x lapw1 -band Error in LAPW1 ?'INILPW' - Invalid k-point file on unit?? 4?? ?'LAPW1' - INILPW

[Wien] query for -hf with lapw2 for properties

Dear Wien2k Tran Sir and others, Do we need to put -hf switch with "x lapw2" when calculating the optical and doss properties from YS-PBE0?Without -hf I got optical and DOSs without any error but when I use -hf with lapw2 I am getting an error:  LAPW1 END  LAPW1 END  LAPW1 END FER

[Wien] forrtl: severe (41): insufficient virtual memory (file attached!!)

The dayfile indicates that you are doing a non-mpi, but k-point parallel calculation using 8 k-parallel lapw1 jobs per node. (only lapw0 runs mpi-parallel) However, the timing is strange: tachyon1218(1) 527.132u 2.121s 25:49.23 34.1% indicating that a job which should run 530 seconds (9 minutes

[Wien] parallel task stops at the end of LAPW1

with zero error file), and after execution there is ever lasting lapw1 in list of command top. It has now zero CPU % and looks like it waits something for a long time. So, lapw1 does not return from background . What C-shell are you using? If it's tcsh 6.15.01 or newer, you have to apply a small patch

[Wien] wien2k parallelization error

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

[Wien] [SPAM?] Lapw1 error

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[Wien] [SPAM?] Lapw1 error

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Re: [Wien] error in lapw1

%40zeus.theochem.tuwien.ac.at/msg01470.html]. This is the detail error in the lapw1.error file. Error in LAPW1 'INILPW' - can't open unit: 10 'INILPW' -filename: /work/02212/miz016/WIEN2K/data/scratch/TiC.vector 'INILPW' - status: unknown form: unformatted 'LAPW1' - INILPW aborted

Re: [Wien] How we calculate formation energy for a system

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 Cholesky

[Wien] problems with ssh/csh (or so) on a cluster

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 when you

[Wien] Wienncm

. 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 (using .machines) 5

Re: [Wien] query for -hf with lapw2 for properties

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

Re: [Wien] error in mixer

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

Re: [Wien] error in mixer

. 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

[Wien] How to run lapw1 and lapw2 in mpi parallelization

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

[Wien] forrtl: severe (41): insufficient virtual memory (file attached!!)

Dear all, (I'm sorry, I forgot to attach file which including error message and job script files) I constantly got following error messages when the parallel job was submitted. I attach it. Also the generated .machines file is attached, please check whether it is properly generated or not. I

[Wien] forrtl: severe (41): insufficient virtual memory (file attached!!)

www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On Apr 14, 2012 7:49 PM, hyunjung kim angpangmokjang at hanmail.net wrote: Dear all, (I'm sorry, I forgot to attach file which including error message and job

[Wien] Wienncm

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

[Wien] Wien2k_18.2: Error (bug) in min_lapw !?

aved under case_2* *cp: cannot stat 'new_super.clmsum': No such file or directory* *clmextrapol_lapw did not extrapolate new density because of missing case.rsp* LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW2 - FERMI; weights written LAPW2 END LAPW2 END LAPW2

[Wien] What does it mean the commment " Unmatched " during SCF cycle

Dear Wien2k Users During the Volume optimization and after adding another point "-9 per cent " to get a good curve , I got this comment "Unmatched "even the calculation still running without error: The following show part of the SCF cycle with the comment "Unmatch

[Wien] Error in PAIRHESS and Error in LAPW1

Dears users, i am new user in wien2k community and i need your help i run my case ZnO with the version 11.1 but LAWP1 runs i have these errors Error in PAIRHESS and Error in LAPW1 Thank you for helps. Sincerely, sufyan Naji -- next part -- An HTML attachment

[Wien] Error in parallel calculation

: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

[Wien] error

I have this error ! error in LAPW1 'INILPW' - can't open unit: 18 'INILPW' -filename: essai.vsp 'INILPW' - status: old form: formatted 'LAPW1' - INILPW aborted unsuccessfully. Can someone tell me please what's can i do?! thanks in advance

[Wien] error in Lapw1 Seclr4 -PORTF(Scalapack/lapack) failed

i run scf without error but in lapw1-band I receive this message error. Cholesky Info = 5277 Seclr4 -PORTF(Scalapack/lapack) failed. please help me. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo

[Wien] Parallel lapw1 bug, WIEN2K_12?

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

Re: [Wien] Need your help

/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 'SELECT' - E-bottom -3.02345 E-top

[Wien] possible lapw1para bug?

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

[Wien] Problem in SO calculation

Dear users, I got error like below while running SO calculation. Can i know how to rectify it. LAPW0 END LAPW1 END LAPW1 END LAPWSO END L2main - QTL-B Error Thank you in advance... ___ Wien mailing list Wien

Re: [Wien] Problem in SO calculation

See the FAQ: http://www.wien2k.at/reg_user/faq/qtlb.html Stefaan I got error like below while running SO calculation. Can i know how to rectify it. LAPW0 END LAPW1 END LAPW1 END LAPWSO END L2main - QTL-B Error ___ Wien

[Wien] (no subject)

Dear WIEN2k users I made the LiCoO2 calculated and it gives error after scf Error in LAPW1 'INILPW' - can not open unit: 18 'INILPW' - filename: LiCoO2.vsp 'INILPW' - status: old form: formatted 'LAPW1' - INILPW aborted unsuccessfully. thanks

[Wien] lapw1 error

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* file

[Wien] error in lapw1

. 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 11:07:49

[Wien] LAPW1 error

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

Re: [Wien] Print plane wave coefficients flom LAPW1 with -p option

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

[Wien] Error in Parallel LAPW1

.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

Re: [Wien] How to fix this error?

Hello again Now and trying to execute the example of rutile i found this error at the level of mixer program as before: regabdou@algerien1970-Dell:~/WIEN2k/TiO2-min$ run_lapw -p -fc 1.0 hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW1 END STOP LAPW1 END STOP LAPW1 END STOP

[Wien] Error in Commandline: x lapw1 -band

During execution of band structure task at command x lapw1 -band i am getting following message Commandline: *x lapw1 -band * Program input is: *""* At line 75 of file modules_tmp_.F (unit = 5, file = 'root.in1c') Fortran runtime error: End of file 0.003u 0.000s 0:00.00 0.0% 0+0k

[Wien] error in run_lapw

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. Best regards

[Wien] error in run_lapw

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. Best regards

Re: [Wien] error in lapw1

e anything wrong? With regards - 原始邮件 - 发件人: "Peter Blaha" 收件人: "wien" 发送时间: 星期六, 2024年 3 月 30日 下午 10:55:43 主题: Re: [Wien] error in lapw1 It is missing the spherical potential, case.vsp Why ?? We don't know what you have done before. Did you run the scf cycle before ?? Is

[Wien] problem with lapw1c

, is this correct or I would change lapw1 for lapw1c. Well, in addition, we have made this change, but always appear the next error (with or whitout lapw1c). LAPW1 END Stop error And when we trace the program, the error appear in the line total_exec lapw1c $it0 -c $para $nohns $readHinv0

[Wien] Error during NMR calculations

, 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

[Wien] GaAs: error SCF!!

:* 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 be listed. Eventually you have the same problem

[Wien] lapw1 problem with PbTiO3

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/local

Re: [Wien] Problems with hybrid calculation

:localhost:2 granularity:1 extrafine:1 STDOUT LAPW0 END LAPW0 END cp: cannot stat `aCGT.kgen_fbz': No such file or directory cp: cannot stat `aCGT.klist_fbz': No such file or directory LAPW1 END mv: cannot stat `aCGT.vector': No such file or directory cp: cannot stat `aCGT.kgen_ibz

[Wien] (no subject)

. The file of lapw1.error shows LAPW0 ENDHost key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.cat: No match. Could you

[Wien] lapw1cpara -c lawp1.def failed

fails. The file of lapw1.error shows LAPW0 ENDHost key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.Host key verification failed.cat: No match

[Wien] Parallel LAPW1 job suspended without any error message

having a trouble that I couldn’t solve. Issue: • When running wien2k using k-point parallelization (with the -p option in run_lapw and .machines file), the job suspends at the lapw1 stage and does not produce any lapw1 output (such as case.vector_* files) or error messages. • Terminating the job

[Wien] 'FERMI' - INTEGRATION FAILED lapw2 error

0+0k 0+283880io 0pf+0w > lapw1 -p -c (19:45:25) starting parallel lapw1 at Sat 04 Mar 2023 > 19:45:25 AEDT -> starting parallel LAPW1 jobs at Sat 04 Mar 2023 19:45:25 AEDT running LAPW1 in parallel mode (using .machines) running lapw1c in single mode 3622.554u 80.233s 15:49.68

Re: [Wien] Error in parallel calculation

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

[Wien] Error in lapw1 or lapw2, frequently

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 found

Re: [Wien] Run SCF for Supercell ZnO:Mg

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

[Wien] Problems with lapw1

Dear all, I am with a problem in the lapw1. My test job TiO2 run until LAPW0 first cicle and stop with the error: LAPW0 END /opt/wien2k_08/lapw1: error while loading shared libraries: libmkl_lapack64.so: cannot open shared object file: No such file or directory ?? stop error I don?t have

[Wien] error in uplapw1.error file

Dear WIEN2k users, I am doing a spin-polarized mBJ calculation with SO as given in UG. After the calculation converged successfully, I was trying to plot the bandstructure after creatiing klist_band by giving the following command: x lapw1 -band -up -c which gave the following error in uplapw1

[Wien] Parallel LAPW1 Error

Dear wien2k users and developers, I am facing an LAPW1 error while doing single point calculation. While initialize my calculation interactively I encounter with small G-max warning so I increased it to higher value. As the lapw1 crashed again and again at the very first step so I initialize

[Wien] GaAs: error SCF!!

!, But 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 pblaha

[Wien] problem in lapw1

Respected Prof. Blaha and dear Wien2k users I am facing problem with lapw1 during scf of supercell in NaCl structure. The error as: lapw1.error 'SELECT' - no energy limits found for L= 2 'SELECT' - E-bottom -200.0 E-top -200.0 I have tried all

[Wien] problem with lapw1 during supercell calculations

Respected Prof. Blaha and dear Wien2k users I am facing problem with lapw1 during scf of supercell in NaCl structure. The error as: lapw1.error 'SELECT' - no energy limits found for L= 2 'SELECT' - E-bottom -200.0 E-top -200.0 I have tried all

[Wien] lapw1 hangs over nfs

dnlapw1_22.error Error in LAPW1 'INILPW' - can't open unit: 11 'INILPW' -filename: AgMgOCo.energydn_22 'INILPW' - status: unknown form: formatted 'LAPW1' - INILPW aborted unsuccessfully. 'Unknow' - Unknown signal received However, case.energydn_22 is present, but empty. I

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