[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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