[Wien] "x optic -p" error

[Tomohiko Tasaka]

Hi,

if $SCRATCH is defined, opticpara can't find case.symmat* files which are stored in remote hosts.
it might be unsuitable for large calculation, but below is a simple solution.


[tasaka at atom01 wien2k_11.1_bld20110615]$ diff x_lapw.orig x_lapw
804c804
< 4, '${scratch}$file.mommat2$updn' ,  'UNKNOWN',    'FORMATTED',  0
---
> 4, '$file.mommat$updn' ,  'UNKNOWN',    'FORMATTED',  0
807,810c807,810
< 3, '${scratch}$file.symmat$updn'   ,  'UNKNOWN',    'FORMATTED',  0
< 13, '${scratch}$file.symmat1$updn'   ,  'UNKNOWN',    'FORMATTED',  0
< 14, '${scratch}$file.symmat2$updn'   ,  'UNKNOWN',    'FORMATTED',  0
< 9, '${scratch}$file.mat_diag$updn' ,  'UNKNOWN',    'FORMATTED',  0
---
> 3, '$file.symmat$updn'   ,  'UNKNOWN',    'FORMATTED',  0
> 13, '$file.symmat1$updn'   ,  'UNKNOWN',    'FORMATTED',  0
> 14, '$file.symmat2$updn'   ,  'UNKNOWN',    'FORMATTED',  0
> 9, '$file.mat_diag$updn' ,  'UNKNOWN',    'FORMATTED',  0
817c817
< 24,'${scratch}$file.mme$updn'       ,  'UNKNOWN',   'FORMATTED', 0
---
> 24,'$file.mme$updn'       ,  'UNKNOWN',   'FORMATTED', 0
[tasaka at atom01 wien2k_11.1_bld20110615]$


With best regards,
Tomo

-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of
Peter Blaha
Sent: Saturday, August 27, 2011 12:55 AM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] "x optic -p" error

The messages like:

rm: cannot remove `tic.mommat_1':
tail: cannot open `tic.mommat_2' for reading:

are no problem.  case.mommat files do not exist anymore in the def 
files, but the opticpara script still wants to concatenate them.

On the other hand, errors like

cat: TiC.symmat_1: No such file or directory

may indicate that something is wrong. These files are necessary.



Am 26.08.2011 10:36, schrieb Hiroki Takahashi:
> That similar error occurred in my system, too. In my case the error
> log indicated that there are no case.mommat_*** files. So, I
> created empty case.mommat_*** files. When a similar error occurs
> in x joint -p, create empty files(see joint.error) as well. But I
> wonder if I can get correct optical property by this procedure.
>
> Best regards,
> Hiroki Takahashi
>
> -----------------------
> Hiroki Takahashi
> hiroki_takahashi at mitsui-kinzoku.co.jp
> Mitsui Mining&  Smelting Co., Ltd.
> -----------------------
>
>
> On Thu, 18 Aug 2011 12:31:56 -0600
> Rodrigo Dominguez Garcia<rodrigo.dominguez at cimav.edu.mx>  wrote:
>
>> I am running wien version WIEN2k_11.1 (Release 14/6/2011) on a machine  with
>> operating system Centos 5.5, fortran compiler ifort 11.1
>>
>> The SCF cycle ran *correctly*, but when i try to get the optic properties
>> using the x optic -p command, throws the following *errors*.
>>
>> running OPTIC in parallel mode
>> [1] 3449
>>   OPTIC END
>> [1]  + Done                          ( cd $PWD; $t $exe
>> ${def}_${loop}.def; rm -f .lock_$lockfile[$p] )>>   ...
>> [1] 3455
>>   OPTIC END
>> [1]  + Done                          ( cd $PWD; $t $exe
>> ${def}_${loop}.def; rm -f .lock_$lockfile[$p] )>>   ...
>>     Summary of opticpara:
>>     localhost	 user=0	 wallclock=20358
>> cat: TiC.symmat_1: No such file or directory
>> cat: TiC.mommat_1: No such file or directory
>> cat: TiC.mat_diag_1: No such file or directory
>> cat: TiC.mme_1: No such file or directory
>> rm: cannot remove `TiC.symmat_1': No such file or directory
>> rm: cannot remove `TiC.mommat_1': No such file or directory
>> rm: cannot remove `TiC.mat_diag_1': No such file or directory
>> rm: cannot remove `TiC.mme_1': No such file or directory
>> tail: cannot open `TiC.symmat_2' for reading: No such file or directory
>> tail: cannot open `TiC.mommat_2' for reading: No such file or directory
>> tail: cannot open `TiC.mat_diag_2' for reading: No such file or directory
>> tail: cannot open `TiC.mme_2' for reading: No such file or directory
>> rm: cannot remove `TiC.symmat_2': No such file or directory
>> rm: cannot remove `TiC.mommat_2': No such file or directory
>> rm: cannot remove `TiC.mat_diag_2': No such file or directory
>> rm: cannot remove `TiC.mme_2': No such file or directory
>> 0.308u 0.175s 0:02.29 20.5%	0+0k 0+0io 16pf+0w
>>
>>
>>
>> The compilation options are shown below
>>
>> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
>> -I/opt/intel/mkl/10.2.6.038/include
>> current:FPOPT:$(FOPT)
>> current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.2.6.038/lib/em64t
>> current:DPARALLEL:'-DParallel'
>> current:R_LIBS:-lmkl_lapack -lmkl_sequential -lmkl_core -lmkl_intel_lp64
>> -lguide
>> current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64
>> -L/usr/local/FFTW/lib -lfftw_mpi -lfftw $(R_LIBS)
>> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>>
>>
>> --
>> M.I. Rodrigo Dominguez Garcia
>> Tecnologias de Informacion y Comunicacion
>> C I M A V
>> Tel. (614) 439-1154
>
>
>
>
> _______________________________________________
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> Wien at zeus.theochem.tuwien.ac.at
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
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