[Wien] Wien2k 11.1 compilation error.

[Vit]

Thanks for the quick reply.
I'm getting this error when trying to run parallel calculations of
sample TiC. Now I'm compiling with internal libraries to check if it
will work.

At line 1877 of file lapw0.F (unit = 21, file = 'TiC.scf0')
Fortran runtime error: Expected INTEGER for item 4 in formatted
transfer, got REAL
USE=',i3,' SIGMA OF V-XC FIT FOR ATOM',i3,e15.7)
                                       ^
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 23411 on
node thunder exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------

Concerning gfortran accuracy:
Actually there are other errors in SRC_telness3: lines, extending to
more then 132 characters, sometimes this is spaces only lines, and
sometimes no. It can be easily fixed.

With best regards,
Victor.

>   stop error

On Thu, Apr 7, 2011 at 11:20 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at> wrote:
> Thanks for the report. gfortran seems to be very picky and accurate (which
> is good,
> at least to some extend.
>
> Simply delete the line :
>        nonortho='N'
> which is not used but some leftover.
>
> All other messages are warnings.
> You can get rid of them by deleting the "assign" line and replacing iform1
> by 2021
> in the read statement.
> Furthermore, delete the blanks at the end of the lines 196 and 344
>
> The source on the web has been updated.
>
> Am 07.04.2011 17:53, schrieb Vit:
>>
>> Dear Wien2k users!
>> I've met an error, trying to compile new version with ACML and gfortran.
>> The error is in SRC_telness3:
>> ewp_init.f:45.29:
>>
>>         assign 2021 to iform1
>>                              1
>> Warning: Deleted feature: ASSIGN statement at (1)
>> ewp_init.f:196.132:
>>
>> ),POS(3,INDEX), MULT(JATOM)
>>
>>     1
>> Warning: Line truncated at (1)
>> ewp_init.f:344.132:
>>
>> ECTION:',2I5,/' NUMBER OF POINTS IN PRINTOUT:',2I5)
>>
>>     1
>> Warning: Line truncated at (1)
>> ewp_init.f:260.15:
>>
>>       nonortho='N'
>>                1
>> Error: Can't convert CHARACTER(1) to INTEGER(4) at (1)
>> ewp_init.f:298.22:
>>
>>               READ(19,iform1) (CLM(I,L,JATOM),I=1,JRJ)
>>                       1
>> Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1)
>> make: *** [ewp_init.o] Error 1
>>
>> This is the last binary I have to compile to get the full suite.
>> Looking forward for your answer,
>> Victor.
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
> -----------------------------------------
> Peter Blaha
> Inst. Materials Chemistry, TU Vienna
> Getreidemarkt 9, A-1060 Vienna, Austria
> Tel: +43-1-5880115671
> Fax: +43-1-5880115698
> email: pblaha at theochem.tuwien.ac.at
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