[Wien] stop error
sun
z.m.sun at aist.go.jp
Fri Oct 2 11:05:49 CEST 2009
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名古屋市守山区下志段味穴ヶ洞2266-98
> > 独立行政法人 産業技術総合研究所 中部センター
> > (サステナブルマテリアル研究部門 金属間化合物材料研究グループ）
> > 主任研究員 孫 正明
> > Tel. 052-736-7483（広域内線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
> -----------------------------------------
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