Re: [Wien] Lapw1_mpi
All what I can find in your listing is at the bottom: This version of ELPA support the minimal API version: 20170403 The current API version is: 20220510 Could it be that you downloaded an old ELPA version ? If I remember correctly, the interface was changed at some time and very old ELPA versions are not compatible with wien2k. Am 24.08.2022 um 13:56 schrieb sherif Yehia: This version of ELPA support the minimal API version: 20170403 The current API version is: 20220510 -- -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 Email: peter.bl...@tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at - ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Lapw1_mpi
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
[Wien] Lapw1_mpi
Dear experts
I am setting wien2k_21with 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]
