[Wien] Lapw1_mpi

[Peter Blaha]

Did you compile  elpa  with  oneapi ? I'd guess you used the default 
gfortran ??

Am 23.08.2022 um 12:18 schrieb sherif Yehia:
> Dear experts
> 
>    I am setting wien2k_21    with oneapi fortran compiler  mpiifort
> Latest version of elpa was set up. Can our community point my  following 
> mistakes
> 
> 
> mpiifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
> -assume buffered_io -I/opt/intel/oneapi/mkl/2022.1.0/include -DELPA 
> -I/home/sherifyehia/Desktop/comp/elpa-2022.05.001/include/elpa_openmp-elpa2/elpa 
> -I/home/sherifyehia/Desktop/comp/elpa-2022.05.001/include/elpa_openmp-elpa2/modules 
> -qopenmp -DParallel -c seclr4_tmp_.F
> seclr4_tmp_.F(49): error #7002: Error in opening the compiled module 
> file.  Check INCLUDE paths.   [ELPA]
>        use elpa
> ----------^
> seclr4_tmp_.F(145): error #6457: This derived type name has not been 
> declared.   [ELPA_T]
>        class(elpa_t), pointer :: elpa_pt
> ------------^ p
> seclr4_tmp_.F(554): error #6404: This name does not have a type, and 
> must have an explicit type.   [ELPA_INIT]
>          if (elpa_init(20180501) /= elpa_ok) then
> ------------^
> seclr4_tmp_.F(554): error #6404: This name does not have a type, and 
> must have an explicit type.   [ELPA_OK]
>          if (elpa_init(20180501) /= elpa_ok) then
> -----------------------------------^
> seclr4_tmp_.F(558): error #6404: This name does not have a type, and 
> must have an explicit type.   [ELPA_PT]
>          elpa_pt => elpa_allocate(success)
> --------^
> seclr4_tmp_.F(558): error #6404: This name does not have a type, and 
> must have an explicit type.   [ELPA_ALLOCATE]
>          elpa_pt => elpa_allocate(success)
> -------------------^
> seclr4_tmp_.F(558): error #6678: When the target is an expression it 
> must deliver a pointer result.   [ELPA_ALLOCATE]
>          elpa_pt => elpa_allocate(success)
> -------------------^
> seclr4_tmp_.F(562): error #6460: This is not a component name that is 
> defined in the encompassing structure.   [SET]
>          call elpa_pt%set("na", dimmatrix, success)
> ---------------------^
> seclr4_tmp_.F(572): error #6460: This is not a component name that is 
> defined in the encompassing structure.   [SETUP]
>         success = elpa_pt%setup()
> -------------------------^
> seclr4_tmp_.F(626): error #6460: This is not a component name that is 
> defined in the encompassing structure.   [GET]
>     call elpa_pt%get("complex_kernel",set_elpa_kernel)
> ----------------^
> seclr4_tmp_.F(656): error #6460: This is not a component name that is 
> defined in the encompassing structure.   [EIGENVECTORS]
>          call elpa_pt%eigenvectors(H,eigval,z,success)
> ---------------------^
> compilation aborted for seclr4_tmp_.F (code 1)
> make[1]: *** [Makefile:270: seclr4.o] Error 1
> make[1]: Leaving directory '/home/sherifyehia/Desktop/m21/SRC_lapw1'
> make: *** [Makefile:182: cp] Error 2
> Copying programs
>    SRC_lapw1/lapw1
>    SRC_lapw1/lapw1c
> 
> done.
> 
> Compile time errors (if any) were:
> SRC_lapw1/compile.msg:seclr4_tmp_.F(49): error #7002: Error in opening 
> the compiled module file.  Check INCLUDE paths.   [ELPA]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(145): error #6457: This derived type 
> name has not been declared.   [ELPA_T]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(554): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_INIT]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(554): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_OK]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(558): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_PT]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(558): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_ALLOCATE]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(558): error #6678: When the target 
> is an expression it must deliver a pointer result.   [ELPA_ALLOCATE]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(562): error #6460: This is not a 
> component name that is defined in the encompassing structure.   [SET]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(572): error #6460: This is not a 
> component name that is defined in the encompassing structure.   [SETUP]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(625): error #6460: This is not a 
> component name that is defined in the encompassing structure.   [GET]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(656): error #6460: This is not a 
> component name that is defined in the encompassing structure.   
> [EIGENVECTORS]
> SRC_lapw1/compile.msg:make[1]: *** [Makefile:270: seclr4.o] Error 1
> SRC_lapw1/compile.msg:make: *** [Makefile:178: rp] Error 2
> SRC_lapw1/compile.msg:seclr4_tmp_.F(49): error #7002: Error in opening 
> the compiled module file.  Check INCLUDE paths.   [ELPA]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(145): error #6457: This derived type 
> name has not been declared.   [ELPA_T]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(554): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_INIT]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(554): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_OK]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(558): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_PT]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(558): error #6404: This name does 
> not have a type, and must have an explicit type.   [ELPA_ALLOCATE]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(558): error #6678: When the target 
> is an expression it must deliver a pointer result.   [ELPA_ALLOCATE]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(562): error #6460: This is not a 
> component name that is defined in the encompassing structure.   [SET]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(572): error #6460: This is not a 
> component name that is defined in the encompassing structure.   [SETUP]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(626): error #6460: This is not a 
> component name that is defined in the encompassing structure.   [GET]
> SRC_lapw1/compile.msg:seclr4_tmp_.F(656): error #6460: This is not a 
> component name that is defined in the encompassing structure.   
> [EIGENVECTORS]
> SRC_lapw1/compile.msg:make[1]: *** [Makefile:270: seclr4.o] Error 1
> SRC_lapw1/compile.msg:make: *** [Makefile:182: cp] Error 2
> 
> 
> Check file   compile.msg   in the corresponding SRC_* directory for the
> compilation log and more info on any compilation problem.
> 
>       Press RETURN to continue
> 
> Thank for your effort and time
> 
> 
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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