[Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)

2008-02-12 Thread Ricardo Faccio
Thanks Sylvain! it works!
Regards
Ricardo
-
-   Dr. Ricardo Faccio

  Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
  Facultad de Qu?mica, Universidad de la Rep?blica
   Av. Gral. Flores 2124, C.C. 1157
   C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9241860 Int. 109
 598 2 9290705
  Fax:598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
- Original Message - 
From: "Sylvain Cristol" 
To: "A Mailing list for WIEN2k users" 
Sent: Tuesday, February 12, 2008 3:09 AM
Subject: Re: [Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)


> Hi Ricardo
>
> You just need to replace
>
> if(memory .eq. 1)qlimit1=max(qlimit1,0.015)
>
> by
>
> if(memory .eq. 1)qlimit1=max(qlimit1,0.015D0)
>
> in line 81 of LimitDMIX.F
>
> and the compilation will go smoothly
>
> Regards
>
> Sylvain
>
>
> Ricardo Faccio a ?crit :
>> Dear Wien users
>> I compiled successfully almost all the packages of the latest Wien2k.
>> The server is a IBM pwr5, AIX, XLF90, 64 bit.
>> The only problem appears in the SRC_mixer where the compilation stops
>> with this error:
>> 
>> xlf90  -q64 -O5 -qarch=pwr5 -qtune=pwr5 -qcache=auto -qstrict   -c -o
>> LimitDMIX.o LimitDMIX.F
>> "LimitDMIX.F", line 81.54: 1513-041 (S) Arguments of the wrong type were
>> specified for the INTRINSIC procedure "max".
>> #
>> I guess the problem is related with argument type definition in the "max"
>> operation.
>> Can someone tell me how to overcome this problem?
>> Thanks in advance
>> Best regards
>> Ricardo
>> -
>> -   Dr. Ricardo Faccio
>>
>>   Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
>>   Facultad de Qu?mica, Universidad de la Rep?blica
>>Av. Gral. Flores 2124, C.C. 1157
>>C.P. 11800, Montevideo, Uruguay.
>>   E-mail: rfaccio at fq.edu.uy
>>   Phone: 598 2 9241860 Int. 109
>>  598 2 9290705
>>   Fax:598 2 9241906
>>   Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
>>
>> ___
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
>
> -- 
>
> Sylvain Cristol
> UCCS - Unit? de Catalyse et de Chimie du Solide - UMR 8181
> Universit? des Sciences et Technologies de Lille B?timent C3
> 59655 Villeneuve d'Ascq Cedex
> France
> Tel. +33(0)3.20.43.45.03 - Fax +33(0)3.20.43.65.61
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
> -- 
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> Checked by AVG Free Edition.
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> 12/02/2008 9:31
>
> 



[Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)

2008-02-12 Thread Sylvain Cristol
Hi Ricardo

You just need to replace

if(memory .eq. 1)qlimit1=max(qlimit1,0.015)

by

if(memory .eq. 1)qlimit1=max(qlimit1,0.015D0)

in line 81 of LimitDMIX.F

and the compilation will go smoothly

Regards

Sylvain


Ricardo Faccio a ?crit :
> Dear Wien users
> I compiled successfully almost all the packages of the latest Wien2k. 
> The server is a IBM pwr5, AIX, XLF90, 64 bit.
> The only problem appears in the SRC_mixer where the compilation stops 
> with this error:
> 
> xlf90  -q64 -O5 -qarch=pwr5 -qtune=pwr5 -qcache=auto -qstrict   -c -o 
> LimitDMIX.o LimitDMIX.F
> "LimitDMIX.F", line 81.54: 1513-041 (S) Arguments of the wrong type were 
> specified for the INTRINSIC procedure "max".
> #
> I guess the problem is related with argument type definition in the "max" 
> operation.
> Can someone tell me how to overcome this problem?
> Thanks in advance
> Best regards
> Ricardo
> -
> -   Dr. Ricardo Faccio
> 
>   Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
>   Facultad de Qu?mica, Universidad de la Rep?blica
>Av. Gral. Flores 2124, C.C. 1157
>C.P. 11800, Montevideo, Uruguay.
>   E-mail: rfaccio at fq.edu.uy
>   Phone: 598 2 9241860 Int. 109
>  598 2 9290705
>   Fax:598 2 9241906
>   Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
> 
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> 

-- 

Sylvain Cristol
UCCS - Unit? de Catalyse et de Chimie du Solide - UMR 8181
Universit? des Sciences et Technologies de Lille B?timent C3
59655 Villeneuve d'Ascq Cedex
France
Tel. +33(0)3.20.43.45.03 - Fax +33(0)3.20.43.65.61


[Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)

2008-02-11 Thread Ricardo Faccio
Dear Wien users
I compiled successfully almost all the packages of the latest Wien2k. 
The server is a IBM pwr5, AIX, XLF90, 64 bit.
The only problem appears in the SRC_mixer where the compilation stops 
with this error:

xlf90  -q64 -O5 -qarch=pwr5 -qtune=pwr5 -qcache=auto -qstrict   -c -o 
LimitDMIX.o LimitDMIX.F
"LimitDMIX.F", line 81.54: 1513-041 (S) Arguments of the wrong type were 
specified for the INTRINSIC procedure "max".
#
I guess the problem is related with argument type definition in the "max" 
operation.
Can someone tell me how to overcome this problem?
Thanks in advance
Best regards
Ricardo
-
-   Dr. Ricardo Faccio

  Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
  Facultad de Qu?mica, Universidad de la Rep?blica
   Av. Gral. Flores 2124, C.C. 1157
   C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9241860 Int. 109
 598 2 9290705
  Fax:598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm