[Wien] Problem compiling wien2k using oneAPI 2024 ifort

negev HPC negevhpc at gmail.com
Wed Sep 18 08:11:44 CEST 2024


Dear wien2k user,

I am currently using an HPC cluster consisting of 46 nodes, each equipped
with 32 Intel Xeon Gold 6130 processors and connected via a 56 GB/s
InfiniBand network. The operating system in use is Rocky Linux 8.9.1-1.

I attempted to install Wien2k version 24.1 using oneAPI 2024.2.1, but
encountered errors when using the ifort compiler.

Here are the errors that I got using  compiler, can anyone assist ?

SRC_3ddens/compile.msg:3ddens.F(20): error #7002: Error in opening the
compiled module file. Check INCLUDE paths. [FFTPACK]
SRC_3ddens/compile.msg:make: *** [Makefile:84: 3ddens.o] Error 1
SRC_dstart/compile.msg:charge.f: error #5633: **Internal compiler error:
segmentation violation signal raised** Please report this error along with
the circumstances in which it occurred in a Software Problem Report. Note:
File and line given may not be explicit cause of this error.
SRC_dstart/compile.msg:make[1]: *** [Makefile:137: charge.o] Error 3
SRC_dstart/compile.msg:make: *** [Makefile:93: para] Error 2
SRC_hf/compile.msg:charge.f: error #5633: **Internal compiler error:
segmentation violation signal raised** Please report this error along with
the circumstances in which it occurred in a Software Problem Report. Note:
File and line given may not be explicit cause of this error.
SRC_hf/compile.msg:make[1]: *** [Makefile:275: charge.o] Error 3
SRC_hf/compile.msg:make: *** [Makefile:189: rp] Error 2
SRC_hf/compile.msg:charge.f: error #5633: **Internal compiler error:
segmentation violation signal raised** Please report this error along with
the circumstances in which it occurred in a Software Problem Report. Note:
File and line given may not be explicit cause of this error.
SRC_hf/compile.msg:make[1]: *** [Makefile:275: charge.o] Error 3
SRC_hf/compile.msg:make: *** [Makefile:193: cp] Error 2
SRC_lapw1/compile.msg:make[1]: *** [Makefile:194: lapw1_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [Makefile:178: rp] Error 2
SRC_lapw1/compile.msg:make[1]: *** [Makefile:197: lapw1c_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [Makefile:182: cp] Error 2
SRC_lapw2/compile.msg:fft_modules_tmp_.F(63): error #5102: Cannot open
include file 'fftw3-mpi.f03'
SRC_lapw2/compile.msg:fft_modules_tmp_.F(80): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_MPI_LOCAL_SIZE_3D]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(83): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_ALLOC_COMPLEX]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(114): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(115): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_ESTIMATE]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(111): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_MPI_PLAN_DFT_3D]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(119): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_BACKWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(127): error #6601: In a CASE
statement, the case-value must be a constant expression. [FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(127): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.
[FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(127): error #6611: The case-value
must be of the same type as the case-expr. [FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(129): error #6601: In a CASE
statement, the case-value must be a constant expression. [FFTW_BACKWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(129): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.
[FFTW_BACKWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(129): error #6611: The case-value
must be of the same type as the case-expr. [FFTW_BACKWARD]
SRC_lapw2/compile.msg:make[1]: *** [Makefile:270: fft_modules.o] Error 1
SRC_lapw2/compile.msg:make: *** [Makefile:177: rp] Error 2
SRC_lapw2/compile.msg:fft_modules_tmp_.F(63): error #5102: Cannot open
include file 'fftw3-mpi.f03'
SRC_lapw2/compile.msg:fft_modules_tmp_.F(80): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_MPI_LOCAL_SIZE_3D]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(83): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_ALLOC_COMPLEX]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(114): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(115): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_ESTIMATE]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(111): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_MPI_PLAN_DFT_3D]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(119): error #6404: This name does
not have a type, and must have an explicit type. [FFTW_BACKWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(127): error #6601: In a CASE
statement, the case-value must be a constant expression. [FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(127): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.
[FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(127): error #6611: The case-value
must be of the same type as the case-expr. [FFTW_FORWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(129): error #6601: In a CASE
statement, the case-value must be a constant expression. [FFTW_BACKWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(129): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.
[FFTW_BACKWARD]
SRC_lapw2/compile.msg:fft_modules_tmp_.F(129): error #6611: The case-value
must be of the same type as the case-expr. [FFTW_BACKWARD]
SRC_lapw2/compile.msg:make[1]: *** [Makefile:270: fft_modules.o] Error 1
SRC_lapw2/compile.msg:make: *** [Makefile:181: cp] Error 2
SRC_lapwso/compile.msg:make[1]: *** [Makefile:123: lapwso_mpi] Error 1
SRC_lapwso/compile.msg:make: *** [Makefile:116: para] Error 2
SRC_nlvdw/compile.msg:calc_vvdw.F(21): error #7002: Error in opening the
compiled module file. Check INCLUDE paths. [FFTPACK]
SRC_nlvdw/compile.msg:calc_vvdw.F(21): error #6580: Name in only-list does
not exist or is not accessible. [C3FFT]
SRC_nlvdw/compile.msg:make[1]: *** [Makefile:159: calc_vvdw.o] Error 1
SRC_nlvdw/compile.msg:make: *** [Makefile:110: seq] Error 2
SRC_nmr/compile.msg:make[1]: *** [Makefile:187: nmr_mpi] Error 1
SRC_nmr/compile.msg:make: *** [Makefile:171: rp] Error 2
SRC_nmr/compile.msg:make[1]: *** [Makefile:190: nmrc_mpi] Error 1
SRC_nmr/compile.msg:make: *** [Makefile:175: cp] Error 2
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