Re: [Wien] Compiling WIEN2k21: error with findloc in lapw0_mpi

2021-04-16 Thread pboulet 
Thank you, it works with ifort v.19.
Best,
Pascal




> Le 15 avr. 2021 à 11:06, Peter Blaha  a écrit :
> 
> FINDLOC — Search an array for a value
> 
> 
> is a standard Fortran function (2008 standard). It is available in gfortran 
> (at least in version 10) and also in newer ifort versions.
> 
> It could be that your ifort v17 does not support it yet. I suggest to upgrade 
> to the new intel compiler+library+mpi suite "oneapi" (which is free of charge 
> and available from Intel).
> 
> Alternatively you have to replace this call by an explicit loop over the atoms
> 
> Am 15.04.2021 um 09:59 schrieb pboulet:
>> Hello,
>> 
>> It seems there is a problem with findloc in lapw0_mpi. The program does not 
>> compile. The error message is:
>> SRC_lapw0/compile.msg:lapw0.F(2370): error #6404: This name does not have a 
>> type, and must have an explicit type.   [FINDLOC]
>> 
>> I am using intel fortran compiler( v. 17), with intelmpi (5.1.3.25). 
>> 
>> Could you please give a hint on how to solve the problem?
>> 
>> Best,
>> Pascal
>> 
>> 
>> 
>> Pascal Boulet
>> —
>> Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY
>> University of Aix-Marseille - Avenue Escadrille Normandie Niemen - F-13013 
>> Marseille - FRANCE
>> Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
>> Email : pascal.bou...@univ-amu.fr 
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>> 
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> -- 
> ---
> Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-158801165300
> Email: peter.bl...@tuwien.ac.at   
> WWW:   http://www.imc.tuwien.ac.at   
> WIEN2k: http://www.wien2k.at 
> -
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Re: [Wien] Compiling WIEN2k21: error with findloc in lapw0_mpi

2021-04-15 Thread Peter Blaha 


 |FINDLOC| — Search an array for a value


is a standard Fortran function (2008 standard). It is available in 
gfortran (at least in version 10) and also in newer ifort versions.


It could be that your ifort v17 does not support it yet. I suggest to 
upgrade to the new intel compiler+library+mpi suite "oneapi" (which is 
free of charge and available from Intel).


Alternatively you have to replace this call by an explicit loop over the 
atoms



Am 15.04.2021 um 09:59 schrieb pboulet:

Hello,

It seems there is a problem with findloc in lapw0_mpi. The program 
does not compile. The error message is:
SRC_lapw0/compile.msg:lapw0.F(2370): error #6404: This name does not 
have a type, and must have an explicit type.   [FINDLOC]


I am using intel fortran compiler( v. 17), with intelmpi (5.1.3.25).

Could you please give a hint on how to solve the problem?

Best,
Pascal



Pascal Boulet
—
/Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY/
University of Aix-Marseille - Avenue Escadrille Normandie Niemen - 
F-13013 Marseille - FRANCE

Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Email : pascal.bou...@univ-amu.fr 











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--
---
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.bl...@tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at  WIEN2k: http://www.wien2k.at
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[Wien] Compiling WIEN2k21: error with findloc in lapw0_mpi

2021-04-15 Thread pboulet 
Hello,

It seems there is a problem with findloc in lapw0_mpi. The program does not 
compile. The error message is:
SRC_lapw0/compile.msg:lapw0.F(2370): error #6404: This name does not have a 
type, and must have an explicit type.   [FINDLOC]

I am using intel fortran compiler( v. 17), with intelmpi (5.1.3.25). 

Could you please give a hint on how to solve the problem?

Best,
Pascal



Pascal Boulet
—
Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY
University of Aix-Marseille - Avenue Escadrille Normandie Niemen - F-13013 
Marseille - FRANCE
Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Email : pascal.bou...@univ-amu.fr 












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