[Wien] Forrtl error in x lapw -band for TiC example

[Gavin Abo]

Are you using the fixed band.pl and scf.pl files in the mailing list 
archive:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16743.html

On 11/30/2017 3:59 PM, Sergio Castillo Robles wrote:
> Hi dear Wien users,
>
> I would appreciate any help you could give me to solve this problem:
>
> I am running the latest version of wien2k, 17.1 in a computer with
> Processor (CPU):   Intel(R) Core(TM)2 Extreme CPU Q6850 @ 3.00GHz
> Speed:  1,998.00 MHz
> Cores:  4 RAM: 2.0 GiB
> OS:  Linux 2.6.31.14-0.8-default x86_64
> System:  openSUSE 11.2 (x86_64)
> KDE:  4.3.5 (KDE 4.3.5) "release 0"
> SUSE Linux 4.4.1 gcc-4_4-branch revision 150839
>
> The problem is the following: Im currently using the web interface in
> firefox, I used the data provided in the UG for the TiC example, and
> everything runs fine until i get to the bandstructure section.
> When i try to calculate the eigenvalues by clicking in the button x
> lapw1 -band it shows a message error:
> -------------------------------------------------------------------------------------------------------------------------
> Commandline: x lapw1 -band
> Program input is: ""
>
> forrtl: severe (24): end-of-file during read, unit 5, file
> /home/armando/armando.in1c
> Image              PC                Routine            Line
> Source
> lapw1c             000000000050A69D  Unknown               Unknown  Unknown
> lapw1c             00000000005091A5  Unknown               Unknown  Unknown
> lapw1c             00000000004B6489  Unknown               Unknown  Unknown
> lapw1c             00000000004661A8  Unknown               Unknown  Unknown
> lapw1c             00000000004659B8  Unknown               Unknown  Unknown
> lapw1c             0000000000492659  Unknown               Unknown  Unknown
> lapw1c             0000000000436566  parallel_mp_init_          75
> modules_tmp_.F
> lapw1c             000000000041786F  gtfnam_                    89
> gtfnam_tmp_.F
> lapw1c             0000000000432DAD  MAIN__                     35  lapw1_tmp_.F
> lapw1c             0000000000404F4C  Unknown               Unknown  Unknown
> libc.so.6          00002B431C49AA7D  Unknown               Unknown  Unknown
> lapw1c             0000000000404E49  Unknown               Unknown  Unknown
> 0.004u 0.000s 0:00.00 0.0%	0+0k 0+0io 0pf+0w
> error: command   /opt/WIEN2k/lapw1c lapw1.def   failed
> ------------------------------------------------------------------------------------------------------------------------
> P.D. I think that the file in1c has been created in another directory maybe?
>
> Any suggestion will be appreciated. Thanks for your time.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171130/6002bcce/attachment.html>