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Error Message from the Installation of OpenMX
Date: 2021/11/15 04:47
Name: Kieran   <skn_neu@hotmail.co.uk>

Dear All,

I tried to install OpenMX 3.9 onto my desktop. Here is the CC and LIB parts of the makefile.

CC = mpicc -O3 -Dscalapack -Dkcomp -ffast-math -fopenmp -I/usr/local/include -I/home/songk0a/software/openmpi-4.1.1/ompi/include
FC = mpif90 -O3 -Dkcomp -ffast-math -fopenmp -I/home/songk0a/software/openmpi-4.1.1/ompi/include
LIB= -L/usr/local/lib -lfftw3 -L/home/songk0a/software/openmpi-4.1.1/ompi -lmpi -lmpi_mpifh -L/home/songk0a/software/scalapack-2.1.0 -lscalapack -L/home/songk0a/soft
ware/lapack-3.10.0 -llapack -lrefblas -lgfortran

After I ran make all command, I received the following error message.

collect2: error: ld returned 1 exit status
makefile:214: recipe for target 'openmx' failed
make: *** [openmx] Error 1

Would anyone please provide any solution for the installation?

Thank you very much in Advance.

Kind regards,

Kieran
メンテ
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Re: Error Message from the Installation of OpenMX ( No.1 )
Date: 2021/11/15 12:40
Name: Naoya Yamaguchi

Hi,

The meaningful error messages appear before the following messages. Can you show them?

>collect2: error: ld returned 1 exit status
>makefile:214: recipe for target 'openmx' failed
>make: *** [openmx] Error 1

Regards,
Naoya Yamaguchi
メンテ
Re: Error Message from the Installation of OpenMX ( No.2 )
Date: 2021/11/16 04:50
Name: Kieran  <skn_neu@hotmail.co.uk>

Dear Dr. Yamaguchi,

Thank you for the reply.

I paste the message below again. Would you please give me some suggesions on the solution? Thank you very much.

Kind regards,

Kieran

##############################Message#################################################
...
Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x5109): undefined reference to `Cblacs_barrier'
Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x5dda): undefined reference to `pzgemm_'
Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x5df2): undefined reference to `Cblacs_barrier'
Cluster_DFT_Optical_ScaLAPACK.o: In function `Cluster_collinear_Optical':
/home/songk0a/software/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:541: undefined reference to `Cblacs_barrier'
/home/songk0a/software/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:542: undefined reference to `pdgemm_'
/home/songk0a/software/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:550: undefined reference to `Cblacs_barrier'
/home/songk0a/software/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:551: undefined reference to `pdgemm_'
/home/songk0a/software/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:589: undefined reference to `pdgemm_'
/home/songk0a/software/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:590: undefined reference to `Cblacs_barrier'
collect2: error: ld returned 1 exit status
makefile:214: recipe for target 'openmx' failed
make: *** [openmx] Error 1
メンテ
Re: Error Message from the Installation of OpenMX ( No.3 )
Date: 2021/11/16 10:50
Name: Naoya Yamaguchi

Dear Kieran,

You may also need some libraries of BLACS.
ScaLAPACK calls BLACS, and such libraries might be contained in the ScaLAPACK library of `/home/songk0a/software/scalapack-2.1.0`.

Regards,
Naoya Yamaguchi
メンテ
Re: Error Message from the Installation of OpenMX ( No.4 )
Date: 2021/11/19 04:34
Name: maedeh  <maedehmashhadbani@yahoo.com>

is it possible to install openmx on macbook air?
メンテ
Re: Error Message from the Installation of OpenMX ( No.5 )
Date: 2021/11/19 15:09
Name: Naoya Yamaguchi

Dear maedeh,

It is possible after you installed the required libraries and compilers.

Regards,
Naoya Yamaguchi
メンテ
Re: Error Message from the Installation of OpenMX ( No.6 )
Date: 2021/11/19 16:47
Name: maedeh  <maedehmashhadbani@yahoo.com>

what is the libraries and compilers? is there any reference for download?
メンテ
Re: Error Message from the Installation of OpenMX ( No.7 )
Date: 2021/11/19 17:05
Name: Naoya Yamaguchi

Dear maedeh,

Please refer to the following.
http://www.openmx-square.org/openmx_man3.9/node5.html

Regards,
Naoya Yamaguchi
メンテ
Re: Error Message from the Installation of OpenMX ( No.8 )
Date: 2021/11/20 05:31
Name: Kieran  <skn_neu@hotmail.co.uk>

Dear Dr. Yamaguchi,

Thank you very much for the suggestions.

I have checked the directory '/home/songk0a/software/scalapack-2.1.0' and there is a folder named BLACS but I do not know what library of BLACS this installation needs and how to install them.

I followed Dr. Yung-Ting Lee's summarized installation procedure on the OpenMX website (https://sites.google.com/site/ytl821/home/codes). I do not know why it does not work on my machine. Would you please give more suggestions with more details? For example, what library of BLACS I need to install and how to install these libraries?

Thank you again.

Kind regards,

Kieran
メンテ
Re: Error Message from the Installation of OpenMX ( No.9 )
Date: 2021/11/20 13:49
Name: Naoya Yamaguchi

Dear Kieran,

According to the `makefile` of the reference ScaLAPACK, the built library is only `libscalapack.a` including BLACS, although I have not installed the reference ScaLAPACK from the source.

If you installed the ScaLAPACK in Dr. Yung-Ting Lee's way, you may need to link `libscalapack.a`, not `-lscalapack`.
However, if you are not familiar with such libraries, I recommend that you install the required libraries through the package manager or the Intel oneAPI.

Regards,
Naoya Yamaguchi
メンテ

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