[Wien] argv1: subscript out of range
Hi 1. Edit x_lapw script and find the following line (should be around the lines 270?290) :like go to file .. [saeedy at kw11606:~/prog/wien2k]$vi x_lapw #Clas-start >else if ($command == lapwkpc) then > set cmplx = c > set command = lapwkp > #Clas-end >endif >#echo "`date`> ($name) $command $argv1[2-]" >> $log >echo "`date`> ($name) $command $argv1[2-]" >> $log >set def = $updn$command$sc.def >#touch $def >switch ($command) >case lcore: >set exe = lcore >cat << theend > $def > >2. Comment it and replace with this one: echo "`date`> ($name) $argv1" >> $log Y. Saeed Lecturer / Research Associate Department of Physics GC University, Faisalabad, Pakistan Cell:+92 345 4041865 Off: +92 41 9201372 Fax: +92 41 9200671 Email: yasir_saeed54321 at yahoo.com Web : www.gcuf.edu.pk/ From: shamik chakrabarti To: A Mailing list for WIEN2k users Sent: Fri, May 27, 2011 5:53:48 PM Subject: [Wien] argv1: subscript out of range Dear Wien2k users, We have just installed wien2k in a laptop(COMPAQ) having core2duo processor. Wien2k has been installed properly after compilation of all files. To test it for Fe when we use structural parameters of Fe then after doing x nn it is giving following error : argv1: subscript out of range and we are not able to go any further. In this regard any response will be very useful to us. Thanks in advance. with regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -- next part ------ An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/25272f00/attachment.htm>
[Wien] error In source file qmix7.F
Dear Laurence Marks >You will need to provide much more information: ok: $ uname -a Linux lpat 2.6.31.5-127.fc12.x86_64 #1 SMP Sat Nov 7 21:11:14 EST 2009 x86_64 x86_64 x86_64 GNU/Linux $ g++ --version g++ (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) $ gcc --version gcc (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) Im using PGI 10 with wien2k_09 -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/e978e99a/attachment.htm>
[Wien] error In source file qmix7.F
Dear Prof. *Peter Blaha* >Does the error occur only after several scf cycles? yes about 17 >Always after the same number of cycles ? no i think >Did you modify case.inm in some strange way ? No >Also: ls -als *.broy* $ ls -als *.broy* 4 -rw-rw-r--. 1 chemam chemam 40 mai 29 13:17 Ag3ML-Fe3ML.broyd1 0 -rw-rw-r--. 1 chemam chemam 0 mai 29 12:07 Ag3ML-Fe3ML.broyd2 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:21 Ag3ML-Fe3ML.broyd2005 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:25 Ag3ML-Fe3ML.broyd2006 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:29 Ag3ML-Fe3ML.broyd2007 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:32 Ag3ML-Fe3ML.broyd2008 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:36 Ag3ML-Fe3ML.broyd2009 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:40 Ag3ML-Fe3ML.broyd2010 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:44 Ag3ML-Fe3ML.broyd2011 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:47 Ag3ML-Fe3ML.broyd2012 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:51 Ag3ML-Fe3ML.broyd2013 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:55 Ag3ML-Fe3ML.broyd2014 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:58 Ag3ML-Fe3ML.broyd2015 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:02 Ag3ML-Fe3ML.broyd2016 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:06 Ag3ML-Fe3ML.broyd2017 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:09 Ag3ML-Fe3ML.broyd2018 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:13 Ag3ML-Fe3ML.broyd2019 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:17 Ag3ML-Fe3ML.broyd2020 thank you -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/4cfac753/attachment.htm>
[Wien] error during DOS calculation
Dear wien2k users, We have run one spin polarize calculation on FeCrVAl. After completion of SCF cycle when we tried to plot DOS we got the following error message:: /usr/local/Wien2K/lapw2c: /opt/intel/mkl/10.2.1.017/lib/em64t/libiomp5.so: no version information available (required by /usr/local/Wien2K/lapw2c) forrtl: severe (67): input statement requires too much data, unit 10, file /home/sudhir/wien_computes/FeCr1VAl_SP/./FeCr1VAl_SP.vectorup Image PCRoutineLine Source lapw2c 005121ED Unknown Unknown Unknown lapw2c 00510CF5 Unknown Unknown Unknown lapw2c 004BCC89 Unknown Unknown Unknown lapw2c 0047970D Unknown Unknown Unknown lapw2c 00478F5A Unknown Unknown Unknown lapw2c 00494377 Unknown Unknown Unknown lapw2c 0049205A Unknown Unknown Unknown lapw2c 0046B112 read_vec_ 152 read_vec_tmp_.F lapw2c 0044A324 l2main_ 508 l2main_tmp_.F lapw2c 0045CF4E MAIN__543 lapw2_tmp_.F lapw2c 0040359C Unknown Unknown Unknown libc.so.6 003343E1EA4D Unknown Unknown Unknown lapw2c 00403499 Unknown Unknown Unknown 0.238u 0.186s 0:00.39 105.1%0+0k 0+4288io 0pf+0w error: command /usr/local/Wien2K/lapw2c uplapw2.def failed Only in this calculation this error is appearing. We have also calculated FeMnVAl and in that case no errors appeared during DOS calculation. Any response in this regard will be very helpful for us. Thank you in advance. with regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/4d908cf4/attachment.htm>
