[Wien] Problem in wien2k17 installation on remote server

[Laurence Marks]

A general comment. I have seen recently many people say "I am new to
Linux", and/or "I do not know about computers".

This is not a valid excuse.

If you are on this list you are a scientist, a problem solver.

Read, learn, Google.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Sat, Sep 1, 2018, 7:40 AM Indranil mal <indranil.mal at gmail.com> wrote:

> Any specific directory I have to install it or any?
>
>
> Thanking you
> Indranil
>
>
> On Sat, Sep 1, 2018 at 11:28 PM Indranil mal <indranil.mal at gmail.com>
> wrote:
>
>> I have *scalapack-2.0.2 *will it be all right to install or I have to
>> follow use BLAS
>>
>> On Sat, Sep 1, 2018 at 5:39 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:
>>
>>> The compile.msg tells you exactly what is wrong:
>>>
>>> error: /opt/libopenblas: No such file or directory
>>> error: /opt/liblapack: No such file or directory
>>>
>>> Using those BLAS and lapack, I don't know.  Those might be operating
>>> systems package ones.  Maybe they are not installed [
>>>
>>> https://askubuntu.com/questions/623578/installing-blas-and-lapack-packages
>>> <https://urldefense.proofpoint.com/v2/url?u=https-3A__askubuntu.com_questions_623578_installing-2Dblas-2Dand-2Dlapack-2Dpackages&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=u68neXV3c2iLAYTEPZKMsaeOYBTdgJljRTwmNwSjg14&s=e3faw0jigmbf4AyVD41vX15sxnAZsLTXWKTo7vXFeXA&e=>
>>> ]:
>>>
>>> sudo apt-get install libblas-dev liblapack-dev
>>>
>>> Or maybe the library filenames are different.  Maybe they have to be
>>> changed to:
>>>
>>>   R   R_LIBS (LAPACK+BLAS):    /opt/libopenblas.a /opt/liblapack.a
>>> -lpthread
>>>
>>> However, as I already mentioned, I use:
>>>
>>>   R   R_LIBS (LAPACK+BLAS):    -L/home/ubuntu/OpenBLAS-0.2.20 -lopenblas
>>> -llapack_lapw -lpthread
>>>
>>> Where I installed OpenBLAS with [
>>>
>>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html
>>> <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_msg17175.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=u68neXV3c2iLAYTEPZKMsaeOYBTdgJljRTwmNwSjg14&s=ZXD97Jf6F5SG4_VAO-KdBhwHVj8vluswo1XlmG75H8g&e=>
>>> ]:
>>>
>>> ubuntu at ubuntu:~$ cd ~
>>> ubuntu at ubuntu:~$ wget
>>> http://github.com/xianyi/OpenBLAS/archive/v0.2.20.tar.gz
>>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__github.com_xianyi_OpenBLAS_archive_v0.2.20.tar.gz&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=u68neXV3c2iLAYTEPZKMsaeOYBTdgJljRTwmNwSjg14&s=hJC89uAsGqBrVenskqOMeRs4_CUNISMb8CzQi0sTMKU&e=>
>>> ...
>>> ubuntu at ubuntu:~$ tar zxvf v0.2.20.tar.gz
>>> ...
>>> ubuntu at ubuntu:~$ cd OpenBLAS-0.2.20/
>>> ubuntu at ubuntu:~/OpenBLAS-0.2.20$ make FC=gfortran
>>>
>>> On 9/1/2018 11:23 AM, Indranil mal wrote:
>>> > Thank you for your reply. As I am new in LINUX operating system I
>>> > could not follow you initially sorry for that. However I am using
>>> >
>>> > Ubuntu 18.04.1 LTS
>>> > Memory 31.3 GiB
>>> > processor Intel® Core™ i7-7700 CPU @ 3.60GHz × 8
>>> > Graphics Intel® HD Graphics 630 (Kaby Lake GT2)
>>> > GNOME 3.28.2
>>> > OS type 64-bit
>>> > Disk 200.6 GB
>>> > Please inform me what are the information you need to analyze the
>>> > errors. I will try to provide you.
>>> >
>>> > this time I have used all the recommended options for compiler and
>>> linker
>>> >
>>> >
>>> > ***********************************************************************
>>> >  *                 Specify compiler and linker options
>>> *
>>> >
>>>  ***********************************************************************
>>> >
>>> >
>>> >  Recommended options for system linuxgfortran are:
>>> >       Compiler options:        -ffree-form -O2 -ffree-line-length-none
>>> >       Linker Flags:            $(FOPT) -L../SRC_lib
>>> >       Preprocessor flags:      '-DParallel'
>>> >       R_LIB (LAPACK+BLAS):     /opt/libopenblas /opt/liblapack
>>> -lpthread
>>> >
>>> >  Current settings:
>>> >   O   Compiler options:        -ffree-form -O2 -ffree-line-length-none
>>> >   L   Linker Flags:            $(FOPT)
>>> >   P   Preprocessor flags       '-DParallel'
>>> >   R   R_LIBS (LAPACK+BLAS):    /opt/libopenblas /opt/liblapack
>>> -lpthread
>>> >   X   LIBX options:            -DLIBXC -I/opt/etsf/include
>>> >       LIBXC-LIBS:              -L/opt/etsf/lib/ -lxcf03 -lxc
>>> >
>>> > I have got the attached error while compiling.
>>> >
>>> > Thanking you
>>> > Indranil
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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>>> SEARCH the MAILING-LIST at:
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>>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=u68neXV3c2iLAYTEPZKMsaeOYBTdgJljRTwmNwSjg14&s=OTnk_mmCvdNvtfTz-PpJSBFTQ3vVE7SOJkuHaImBHCY&e=>
>>>
>>
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