[Wien] Goofy output in dayfile

[Laurence Marks]

It is a debug line for a now patched blocksize problem -- the print
statement probably should have been commented out but was not. Either
ignore, or comment out the lines:

dscgst.F:        print*,'_nb in dscgst.F',nb,BLOCKSIZE
zhcgst.F:        print*,'_nb in zhcgst.F',nb,BLOCKSIZE

On Mon, Feb 11, 2013 at 5:13 PM, Joshua Davis
<davis101 at chemistry.msu.edu> wrote:
> Hi everyone I have recently compiled Wien2k 12.1 with ifort 13 with on
> ubuntu 12.04 with two Xeon six-core processors without error.  However, I
> was running session and while it looks like it is running, it gives me a
> weird output in my dayfile. (Why is it spitting out " _nb in dscgst.F
> 640         128" ?)  Am i specifying a wrong memory amount? my NMATMAX is
> only 20000 and NUME is 2000 while my RAM is 48 Gb.
>
> my OPTIONS file is at the bottom as well
>
> sample from dayfile:
>
>     cycle 15    (Mon Feb 11 17:42:22 EST 2013)  (26/85 to go)
>
>>   lapw0       (17:42:22) 15.3u 0.1s 0:15.54 99.7% 0+0k 0+7864io 0pf+0w
>>   lapw1  -up          (17:42:37)  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
> 242.6u 1.6s 4:04.90 99.7% 0+0k 0+113992io 0pf+0w
>>   lapw1  -dn          (17:46:42)  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
>  _nb in dscgst.F         640         128
> 243.1u 1.7s 4:05.54 99.7% 0+0k 0+114040io 0pf+0w
>>   lapw2 -up           (17:50:48) 12.5u 0.3s 0:12.87 99.5% 0+0k 0+4704io
>> 0pf+0w
>>   lapw2 -dn           (17:51:01) 12.8u 0.3s 0:13.26 99.4% 0+0k 0+4712io
>> 0pf+0w
>>   lcore -up   (17:51:14) 0.0u 0.0s 0:00.04 100.0% 0+0k 0+952io 0pf+0w
>>   lcore -dn   (17:51:14) 0.0u 0.0s 0:00.04 100.0% 0+0k 0+952io 0pf+0w
>>   mixer       (17:51:14) 0.4u 0.1s 0:00.56 91.0% 0+0k 0+15952io 0pf+0w
> :ENERGY convergence:  0 0.0001 .0212156500000000
> :CHARGE convergence:  0 -0.001 .7105714
>
> from OPTIONS file:
>
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3
> -traceback
> current:LDFLAGS:$(FOPT) -L/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64
> -pthread
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread
> -lmkl_core -openmp -lpthread
> current:RP_LIBS: -lmkl_scalapack_lp64 -lmkl_blacs_lp64
> -L/home/computation/Programs/fftw3_intel/lib -lfftw3_mpi -lfftw3 $(R_LIBS)
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
>
> Thank You much
>
> Joshua Davis



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi