Dear Dr. Blaha and Wien2k users, I use the Redhat Linux system RHEL 4.8 Machine, 64 bit workstation intel: ifort11 + mkl10 or ifort10 + mkl 9 in each of the cases, compilation was finished with no error and calculation with Wien2k (ether Wien2k_08, or Wien2k_09) all ended up with the same "stop error".
Here I attach the compile.msg file in SRC_lapw1 to this message. Your kind advices are greatly appreciated. ZM On Fri, 02 Oct 2009 08:50:42 +0200 Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote > Hi, > When you post something on the mailing list and you did not get any > helpful answer, it is usually because with the provided info nobody > could help you. > This is also the case here. I don't know how I can help you. > > Please post again, but provide details about your PC (operating system, > compiler,libraries), and please check carefully the compile.msg file in > SRC_lapw1. > > > > sun schrieb: > > Dear Dr. Blaha, > > > > I am a Wien2k user and encountered a problem since some time ago. > > I sent a message to the mailing list and got one reply. But that turned > > to me of no help. > > > > Here I send this as a personal message in anticipation of some kind > > reply from you. > > > > I tried whatever I can imagine but still can not get the program running > > properly. Please see the appended message for the details of the problem > > and the summary is: > > > > The compiling was finished with no error. > > When running the program, for the example TiC or anything else, an lapw > > 1 error was met and "stop error" was seen to terminate the calculation. > > > > By the way, this works on the other machine perfectly, when installed > > exactly the same way. > > > > I hope to get some advices from you. > > > > Sincerely Yours, > > > > ZM Sun > > > > > > Forwarded by sun <z.m.sun at aist.go.jp> > > ----------------------- Original Message ----------------------- > > From: sun <z.m.sun at aist.go.jp> > > To: A Mailing list for WIEN2k users <wien at > > zeus.theochem.tuwien.ac.at> > > Date: Wed, 09 Sep 2009 15:28:10 +0900 > > Subject: [Wien] stop error > > ---- > > > > Dear Wien2K users: > > > > I have a problem here with the Wien2K_08 and I hope to get some help > > here. > > > > I used Wien2K for some calculation with no problems for some 2 years. > > Recently I have bought a new work station and installed Wien2k there. > > The installation has finished with no error and I can run 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% 0+0k 3072+1096io 16pf+0w > > > > cycle 1 (Wed Sep 9 12:00:42 JST 2009) (40/99 to go) > > > > start (Wed Sep 9 12:00:42 JST 2009) with lapw0 (40/99 to go) > > > > on localhost.localdomain with PID 17348 > > Calculating u1relax in /root/WIEN2k/u1relax > > > > > > > > or in the STDOUT file as: > > > > LAPW0 END > > forrtl: severe (71): integer divide by zero > > Image PC Routine Line Source > > > > lapw1 00000000004DEA82 Unknown Unknown Unknown > > lapw1 00000000004DEC80 Unknown Unknown Unknown > > lapw1 00000000004D6468 Unknown Unknown Unknown > > lapw1 0000000000425438 hamilt_ 375 > > hamilt_tmp_.F > > lapw1 00000000004132C4 calkpt_ 156 > > calkpt_tmp_.F > > lapw1 0000000000441B43 MAIN__ 60 > > lapw1_tmp_.F > > lapw1 0000000000409FA2 Unknown Unknown Unknown > > libc.so.6 000000362111C40B Unknown Unknown Unknown > > lapw1 0000000000409EEA Unknown Unknown Unknown > > > >> stop error > > > > > > I suspected some mistakes in the installations, but so for I have > > installed Wien2K exactly as I did in the other machine, for over 10 > > times, but every time it ended up with the forementioned problem. > > > > I also tried the example calculation of TiC as provided in the manual, > > but the problem was the same. > > > > Sincerely I hope to hear some advice to help me out of this. > > > > Best regards. > > > > ZhengMing Sun > > @AIST, JAPAN > > > > > > > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > --------------------- Original Message Ends -------------------- > > > > ************************************* > > ?463-8560??????????????2266-98 > > ?????? ????????? ?????? > > (??????????????????????????????? > > ??????? ?? > > Tel. 052-736-7483?????9-51-77483? > > http://staff.aist.go.jp/z.m.sun/ > > ZhengMing Sun (Z. M. Sun, Ph.D) > > Senior Research Scientist > > Materials Research Institute for Sustainable Development > > National Institute of Advanced Industrial Science and Technology (AIST) > > 2266-98 Anagahora, Shimoshidami, Moriyama-ku, Nagoya, 463-8560 Japan > > ************************************************ > > > > -- > ----------------------------------------- > Peter Blaha > Inst. Materials Chemistry, TU Vienna > Getreidemarkt 9, A-1060 Vienna, Austria > Tel: +43-1-5880115671 > Fax: +43-1-5880115698 > email: pblaha at theochem.tuwien.ac.at > ----------------------------------------- -------------- next part -------------- A non-text attachment was scrubbed... Name: compile.msg Type: application/octet-stream Size: 18028 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091002/1a4f193b/attachment.dll>
