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OpenMX 3.9 installation error
Date: 2022/04/06 17:36
Name: S. Matsushima

Dear Developpers;

I am trying to install openmx_3.9 + patch_3.9.9 on ubuntu 20.04 on WSL.

Makefile definitions are as follows:

MKLROOT = /opt/intel/oneapi/mkl/2021.5.0/
CC = mpiicc -O3 -xHOST -ip -no-prec-div -qopenmp -I${MKLROOT}/include -I/opt/intel/oneapi/mkl/2021.5.0/include/fftw
FC = mpiifort -O3 -xHOST -ip -no-prec-div -qopenmp
LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lifcore -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl

When trying to execute make clean && make all, I have the following error:

mpiicc -O3 -xHOST -ip -no-prec-div -qopenmp -I/opt/intel/oneapi/mkl/2021.5.0//include -I/opt/intel/oneapi/mkl/2021.5.0/include/fftw -I./elpa-2018.05.001 -c Stress.c
Stress.c(19): catastrophic error: cannot open source file "fftw3.h"
#include <fftw3.h>
^
compilation aborted for Stress.c (code 4)
make: *** [makefile:334: Stress.o] Error 4

Could you give me some guidance?

Many thanks

Best regards,
S. Matsushima
メンテ
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Re: OpenMX 3.9 installation error ( No.1 )
Date: 2022/04/07 00:40
Name: Naoya Yamaguchi

Hi,

Without the oneAPI, you can install the OpenMX with a deb file by following No. 1 of http://www.openmx-square.org/forum/patio.cgi?mode=view&no=2968 .

Regards,
Naoya Yamaguchi
メンテ
Re: OpenMX 3.9 installation error ( No.2 )
Date: 2022/04/07 07:34
Name: S. Matsushima

Hi,

Thank you for your help.

I will try it.

Regards,

S. Matsushima
メンテ
Re: OpenMX 3.9 installation error ( No.3 )
Date: 2022/04/07 11:32
Name: S. Matsushima  <smatsu@kct.ac.jp>

Dear Naoya Yamaguchi

I have verified that the program works.
Thank you very much.

Regards,
S. Matsushima
メンテ
Re: OpenMX 3.9 installation error ( No.4 )
Date: 2022/04/16 12:11
Name: T. Ozaki

Hi,

I guess you used the latest version of Intel oneAPI and encountered the error.
Instead, you can use the Intel oneAPI 2021 which can be downloaded from the following links:
https://registrationcenter-download.intel.com/akdlm/irc_nas/17977/l_BaseKit_p_2021.3.0.3219_offline.sh
https://registrationcenter-download.intel.com/akdlm/irc_nas/17912/l_HPCKit_p_2021.3.0.3230_offline.sh

Then, you can follow the guidance explained at
http://www.openmx-square.org/Installation_OpenMX_WSL_EN.pdf
http://www.openmx-square.org/Installation_OpenMX_WSL.pdf


Regards,

TO
メンテ
Re: OpenMX 3.9 installation error ( No.5 )
Date: 2022/04/11 19:54
Name: S. Higashiyama

Dear Prof. Ozaki,

I have installed openmx3.9 and patch3.9.9 using the latest version of Intel oneAPI almost successfully although I have received a considerable number of 'warning #266: function "*" declared implicitly' messages while executing the `make all` command.
My system is Kali GNU/Linux 2022.1 on WSL.

My makefile is below (only the head is shown):

MKLROOT = /opt/intel/oneapi/mkl/latest/
CC = mpiicc -O3 -xHOST -ip -no-prec-div -qopenmp -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FC = mpiifort -O3 -xHOST -ip -no-prec-div -qopenmp
LIB = -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lifcore -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl

*** /opt/intel/oneapi/mkl/latest/ is a symbolic link to /opt/intel/oneapi/mkl/2022.0.2/ on my system.

I have also performed a successful automatic running test.

Best Regards,

S. Higashiyama
メンテ
Re: OpenMX 3.9 installation error ( No.6 )
Date: 2022/04/12 13:59
Name: T. Ozaki

Dear Higashiyama-san,

Thank you for sharing your experience.
I could also succeed to install OpenMX Ver. 3.9 with the patch3.9.9 on
Windows 11 & WSL2
l_BaseKit_p_2022.1.2.146_offline.sh
l_HPCKit_p_2022.1.2.117_offline.sh

I guess that the issue Matsushima-san encoutered can be solved by setting
MKLROOT = /opt/intel/oneapi/mkl/latest/

Regards,

TO
メンテ
Re: OpenMX 3.9 installation error ( No.7 )
Date: 2022/04/14 22:12
Name: S. Matsushima  <smatsu215@gmail.com>

Dear Prof. T. Ozaki

Thank you very much.
I will follow your instruction and try it on the other PC.

Best Regards,

S. Matsushima
メンテ

Page: [1]

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