[Wien] lapw1 stop error
Donghui Guo
dhguo at cat.hokudai.ac.jp
Sat Sep 6 04:13:29 CEST 2008
Dear all Wien2K users,
I am a beginer on Wien2k. I am very glad to join this field and get to know everyone.
I have compiled and there is no error. Now I am just trying to follow the standard case - TiC, but I met some troubles.
Aftter I intialized and run SCF, STDOUT showed
Lapw0 end
lapw1 - error"
Following is in detail.
* System is Core2 Duo with SUSE 10,
wien2k version:8
opt/intel/fce/10.1.008 ifort for fortran
opt/intel/mkl/10.0.010 for mkl
opt/intel/cce/10.1.018 icc for c
* Compiler
Recommended options for system linuxif8 are:
Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
Linker Flags: $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t -lpthread
Preprocessor flags: '-DParallel'
R_LIB (LAPACK+BLAS): -lmkl_lapack64 -lmkl_em64t -lguide -lvml -pthread
Current settings:
O Compiler options: -axT -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
L Linker Flags: $(FOPT) -L/opt/intel/mkl/10.0.010/lib/em64t -lguide -lpthread
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_lapack64 -lmkl_em64t -lguide -lvml -pthread
*W2web
when I try TiC by SCF cycle with "parallel" (number of K-point:1000)
LAPW0 END
LAPW1 - Error
> stop error
THEN, I check the file "lapw1.error", it shows as
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Sep 5 17:19:06 JST 2008
** check ERROR FILES!
'INILPW' - can't open unit: 18
'INILPW' - filename: TiC.vsp
'INILPW' - status: old form: formatted
'LAPW1' - INILPW aborted unsuccessfully.
'INILPW' - can't open unit: 18
'INILPW' - filename: TiC.vsp
'INILPW' - status: old form: formatted
'LAPW1' - INILPW aborted unsuccessfully.
'INILPW' - can't open unit: 18
'INILPW' - filename: TiC.vsp
'INILPW' - status: old form: formatted
'LAPW1' - INILPW aborted unsuccessfully.
*On the other hand, I noted there is a "permission denied" message when I run "siteconfig_lapw" and input "O". I don't know whether it is a serious problem. It is shown as:
For more info see http://www.wien2k.at/reg_user/faq
searching ....
find: /opt/intel/licenses/flexlm: Permission denied
You have the following mkl libraries in /opt:
/opt/intel/mkl/10.0.010/lib/32/libmkl_sequential.so
......
*So far, I have no clue to resolve this problem. Any helps on it, would be highly appreciated.
Best regards,
Yours,
Donghui Guo
2008-09-06
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