Matrix Product State (MPS) Simulations / Tickets / #55 Issues with Installing OpenMPS

Matthew Jones - 2021-06-10

Hi, can you run the following commands, and let me know what the output is?

which python gfortran --version gcc --version make --version
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Mostafa Ali - 2021-06-10

It seems like I didn't have the command make. I installed it, but I'm getting these errors.

make[1]: /home/mostafa/openmps/conda/root/conda/envs/openmps/bin/gfortran: No such file or directory
make[1]: [makefile:14: /home/mostafa/openmps/MPSFortLib/Mods/BasicOps.o] Error 127
make[1]: Leaving directory '/home/mostafa/openmps/MPSFortLib/Mods'
make: [makefile:29: moddir_obj] Error 2

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Matthew Jones - 2021-06-10

It looks like you're also missing gfortran.

Can you describe the exact process you used to configure your environment?

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Mostafa Ali - 2021-06-10

Here is what these commands return now:

$ which python
/home/mostafa/openmps/conda/root/conda/envs/openmps/bin/python

$ gfortran --version
GNU Fortran (Ubuntu 10.3.0-1ubuntu1) 10.3.0
Copyright (C) 2020 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

$ gcc --version
gcc (Ubuntu 10.3.0-1ubuntu1) 10.3.0
Copyright (C) 2020 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

$ make --version
GNU Make 4.3
Built for x86_64-pc-linux-gnu
Copyright (C) 1988-2020 Free Software Foundation, Inc.
License GPLv3+: GNU GPL version 3 or later http://gnu.org/licenses/gpl.html
This is free software: you are free to change and redistribute it.
There is NO WARRANTY, to the extent permitted by law.

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Mostafa Ali - 2021-06-10

Also, if I change

python BuildOSMPS.py --prefix=$CONDA_PREFIX/bin \
--option=FC:$CONDA_PREFIX/bin/gfortran \
--option=INCFLAGS:-I$CONDA_PREFIX/include \
--option=LIBFLAGS:-L$CONDA_PREFIX/lib

to

python BuildOSMPS.py --prefix=$CONDA_PREFIX/bin \
--option=FC:/usr/bin/gfortran \
--option=INCFLAGS:-I$CONDA_PREFIX/include \
--option=LIBFLAGS:-L$CONDA_PREFIX/lib

I can avoid these errors, but I end up getting this

/usr/bin/gfortran -O3 -c /home/mostafa/openmps/MPSFortLib/Mods/BasicOps.f90 -I/home/mostafa/openmps/MPSFortLib/Mods/
/home/mostafa/openmps/MPSFortLib/Mods/BasicOps.f90:369:44:
Template file is BasicOps_include.f90:219

369 | call dlarnv(dis, lapackseed, 1, sc)
| 1
......
430 | call dlarnv(dis, lapackseed, size(vec, 1), vec)
| 2
Error: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar)
make[1]: [makefile:14: /home/mostafa/openmps/MPSFortLib/Mods/BasicOps.o] Error 1
make[1]: Leaving directory '/home/mostafa/openmps/MPSFortLib/Mods'
make: [makefile:29: moddir_obj] Error 2
mv MPSFortLib/make.log .

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What operating system are you using? It looks like it's a Linux-based system.
Can you send me the output of these commands:

lsb_release --all  # this will tell me which Linux version you're using
conda --version  # this will tell me the version of conda on your system
conda env list  # this will list all of the conda environments built on your system

The procedure for configuring the environment is essentially this (from the openmps directory):

conda env create --name openmps --file conda/environments/linux.yml  # create a conda environment with the appropriate dependencies
# the following command installs openmps into the conda environment called `openmps`
conda activate openmps && \
python setup.py install && \
python BuildOSMPS.py --prefix=$CONDA_PREFIX/bin \
                     --option=FC:$CONDA_PREFIX/bin/gfortran \  # note: this is using a very specific version of the fortran compiler ... using a system provided compiler will miss some of the dependencies and prompt compilation/link failures
                     --option=INCFLAGS:-I$CONDA_PREFIX/include \
                     --option=LIBFLAGS:-L$CONDA_PREFIX/lib

Hi Matthew,

Here are the outputs

(base) mostafa@mostafa:~$ lsb_release --all
No LSB modules are available.
Distributor ID: Ubuntu
Description:    Ubuntu 21.04
Release:    21.04
Codename:   hirsute


(base) mostafa@mostafa:~$ conda --version
conda 4.10.1


(base) mostafa@mostafa:~$ conda env list
# conda environments:
#
                         /home/mostafa/anaconda3
base                  *  /home/mostafa/openmps/conda/root/conda
openmps                  /home/mostafa/openmps/conda/root/conda/envs/openmps

Thanks you!

Last edit: Matthew Jones 2021-06-21

Can you try the following and send me the output (please add the output as a text file ... it will be large)?

conda activate openmps
conda list

conda activate openmps
python BuildOSMPS.py --clean
python BuildOSMPS.py --prefix=$CONDA_PREFIX/bin \
                     --option=FC:$CONDA_PREFIX/bin/gfortran \
                     --option=INCFLAGS:-I$CONDA_PREFIX/include \
                     --option=LIBFLAGS:-L$CONDA_PREFIX/lib

Mostafa Ali - 2021-06-21

I hope I didn't do this wrong

output.txt

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Matthew Jones - 2021-06-21

Can you send me the output of the following command?

conda activate openmps ls -la $CONDA_PREFIX/bin | grep -i "fortran"

Last edit: Matthew Jones 2021-06-21
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Mostafa Ali - 2021-06-21

both of them don't return any output

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Matthew Jones - 2021-06-21

Apologies! I had a typo in one of the commands, can you try again?

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Mostafa Ali - 2021-06-21

I got this

lrwxrwxrwx 1 mostafa mostafa 36 Jun 9 17:48 x86_64-conda_cos6-linux-gnu-f95 -> x86_64-conda_cos6-linux-gnu-gfortran
-rwxrwxr-x 1 mostafa mostafa 226 Jun 9 17:47 x86_64-conda_cos6-linux-gnu-gfortran
-rwxrwxr-x 2 mostafa mostafa 904240 Aug 21 2018 x86_64-conda_cos6-linux-gnu-gfortran.bin

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Great! Thanks.
Can you try this command and send me the output?

conda activate openmps && \
python setup.py install && \
python BuildOSMPS.py --clean
python BuildOSMPS.py --prefix=$CONDA_PREFIX/bin \
                     --option=FC:$CONDA_PREFIX/bin/x86_64-conda_cos6-linux-gnu-gfortran \
                     --option=INCFLAGS:-I$CONDA_PREFIX/include \
                     --option=LIBFLAGS:-L$CONDA_PREFIX/lib

Mostafa Ali - 2021-06-21

Did it work?

output.txt

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Mostafa Ali - 2021-06-21

I think it did. I ran the example code and got the pdf output file.

Thank you so much, Matthew!

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Matthew Jones - 2021-06-21

Looks like it! Only one way to find out, though:

conda activate openmps && \ python Examples/03_BoseHubbardDynamics.py --PostProcess False && \ python Examples/03_BoseHubbardDynamics.py --PostProcess True
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Matthew Jones - 2021-06-21

Great!! May I close this issue, or did you have other questions?

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Mostafa Ali - 2021-06-21

Sure. I ran the codes successfully for the first and third examples.
Thank you for your time. I appreciate it.

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Matthew Jones - 2021-06-21

No problem! Feel free to open another ticket if you have questions.

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Matthew Jones - 2021-06-21

status: open --> closed
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Matthew Jones - 2021-06-21

Problem fixed.

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Issues with Installing OpenMPS

Numerical routines for variational matrix product state simulations.

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#55 Issues with Installing OpenMPS

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