Precompiler error with GNU compiler

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
lfmenchero
Posts: 9
Joined: Mon Jun 13, 2022 6:12 pm

Precompiler error with GNU compiler

Post by lfmenchero » Mon Jun 13, 2022 6:31 pm

Hello forum and developers.
I am a system administrator of an HPC, and I am trying to install yambo in our cluster. I am getting an error in the "configure" phase.

Compiler: GNU 9.3.0 and OpenMPI 4.0.4
Architecture: AMD x86_64. AMD EPYC 7702 dual 64-Core Processors
Full details about the cluster
https://www.ni-hpc.ac.uk/
Compiling in parallel
Yambo version 5.1.0

Procedure to get the error:
Load necessary modules and dependencies:
$ module load apps/cmake/3.18.4/gcc-9.3.0
$ module load compilers/gcc/9.3.0
$ module load mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0
$ module load libs/blas/3.8.0/gcc-9.3.0
$ module load libs/lapack/3.9.0/gcc-9.3.0
$ module load libs/fftw3_double/3.3.10/gcc-9.3.0+openmpi-4.0.4
$ module load libs/fftw3_float/3.3.10/gcc-9.3.0+openmpi-4.0.4
$ module load petsc/3.17.2/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0
$ module load apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4

Precompiling command:
$ CC=/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gcc \
> FC=/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gfortran \
> F77=/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gfortran \
> MPICC=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpicc \
> MPIF90=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90 \
> MPIF77=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif77 \
> ./configure --prefix=/opt/apps/yambo/5.1.0/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0+fftw3-3.3.10+hdf5-1.12.2+petsc-3.17.2 \
> --with-mpi-path=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0 \
> --with-blas-libs=/opt/gridware/depots/54e7fb3c/el7/pkg/libs/blas/3.8.0/gcc-9.3.0/libblas.a \
> --with-lapack-libs=/opt/gridware/depots/54e7fb3c/el7/pkg/libs/lapack/3.9.0/gcc-9.3.0/lib64/liblapack.a \
> --with-fft-path=/opt/gridware/depots/54e7fb3c/el7/pkg/libs/fftw3_double/3.3.10/gcc-9.3.0+openmpi-4.0.4 \
> --with-petsc-path=/opt/apps/petsc/3.17.2/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0 \
> --with-hdf5-path=/opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4

Error:
[yambo] Compilation Precision check
make[4]: Nothing to be done for `all'.
[lib/qe_pseudo] qe_pseudo (checking work to be done)
objects.mk:8: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [qe_pseudo] Error 2
[lib/slatec] slatec (checking work to be done)
objects.mk:9: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [slatec] Error 2
[lib/math77] math77 (checking work to be done)
[lib/local] local (checking work to be done)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
make[2]: *** No rule to make target `lib'. Stop.
make[1]: *** [yambo] Error 2
yambo build failed

It looks like it is related to the precompiler, it is not building the Makefile properly.
Has anyone compiled yambo with the GNU compiler suite?
Some help will be very appreciated.

Thank you.
Luis.
Dr Luis Fernandez Menchero
Northern Ireland High Performance Computing Center
Queen's University Belfast
United Kingdom
https://www.ni-hpc.ac.uk

User avatar
Nicola Spallanzani
Posts: 62
Joined: Thu Nov 21, 2019 10:15 am

Re: Precompiler error with GNU compiler

Post by Nicola Spallanzani » Tue Jun 14, 2022 1:29 pm

Dear Luis,
unfortunately it is a known bug of this release. To solve it remove the lib/yambo directory and clone in its place the yambo-libraries repo:

Code: Select all

rm -rf lib/yambo
git clone https://github.com/yambo-code/yambo-libraries.git lib/yambo
then restart the compilation.

Best regards,
Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

lfmenchero
Posts: 9
Joined: Mon Jun 13, 2022 6:12 pm

Re: Precompiler error with GNU compiler

Post by lfmenchero » Wed Jun 15, 2022 9:00 am

Hello Nicola.
Thank you for your reply.

I did as you proposed, I removed the library directory
~yambo/lib/yambo
and replaced it by the one in the other repository. I also removed the compilation cache files, to start the whole compilation over.

Unfortunately, it did not solve my problem, the compilation of some packages is successful, but after some time, I got the same error.

If this version has this bug and does not compile with GNU, one solution would be to install an older version.
Is there any version that it is tested to compile and work with the GNU compiler suite?

Thanks.
Luis.

$ make core
[yambo] Compilation Precision check
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
[lib/qe_pseudo] qe_pseudo (checking work to be done)
objects.mk:8: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [qe_pseudo] Error 2
[lib/slatec] slatec (checking work to be done)
objects.mk:9: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [slatec] Error 2
[lib/math77] math77 (checking work to be done)
[lib/local] local (checking work to be done)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
objects.mk:8: *** missing separator. Stop.
make[1]: *** [yambo] Error 2
yambo build failed
Dr Luis Fernandez Menchero
Northern Ireland High Performance Computing Center
Queen's University Belfast
United Kingdom
https://www.ni-hpc.ac.uk

User avatar
Nicola Spallanzani
Posts: 62
Joined: Thu Nov 21, 2019 10:15 am

Re: Precompiler error with GNU compiler

Post by Nicola Spallanzani » Thu Jun 16, 2022 10:10 am

Hi Luis,
I was not able to reproduce your error but if I remember well this could happen for two reasons:
- a previous compilation that causes some trouble not deleted by the cleaning procedure;
- too many parallel threads working on make.

For the first I suggest to start from scratch and for the second I suggest to use the make option "-j4" to be sure to not use more than 4 threads on the compilation.

In addition I found other two issues in the compilation, the first related to the usage of "mpifort", this is why I'm defining the environment variables, and the second comes out in the linking fase of the executable yambo_nl.
So here there is the complete procedure that I used for compiling, with all the workaround I used:

Code: Select all

spack load gcc@9.3.0
spack load openmpi@4.0.5 /cawymsq
spack load hdf5@1.12.0 /ipea65q
spack load netcdf-c@4.7.4 /gk534wh
spack load netcdf-fortran@4.5.3 /4revnzi
spack load openblas@0.3.12 /m4pegez
spack load petsc@3.16.1 /kicr7cn
spack load slepc@3.16.0 /dmonkly
spack load netlib-scalapack@2.1.0 /uilf25t
spack load fftw@3.3.8 /tp2b5rm
spack load libxc@5.1.5 /bihfxl3

export CC=gcc
export FC=gfortran
export MPIFC=mpif90
export MPIF77=mpif77
export MPICC=mpicc

wget https://github.com/yambo-code/yambo/archive/refs/tags/5.1.0.tar.gz -O yambo-5.1.0.tar.gz
tar zxvf  yambo-5.1.0.tar.gz
cd  yambo-5.1.0
git clone https://github.com/yambo-code/yambo-libraries.git lib/yambo

./configure \
    --enable-open-mp --enable-mpi \
    --enable-time-profile --enable-memory-profile --enable-msgs-comps \
    --enable-hdf5-par-io \
    --with-hdf5-path=$(spack location -i hdf5 /ipea65q) \
    --with-netcdf-path=$(spack location -i netcdf-c /gk534wh) \
    --with-netcdff-path=$(spack location -i netcdf-fortran /4revnzi) \
    --with-libxc-path=$(spack location -i libxc /bihfxl3) \
    --with-fft-path=$(spack location -i fftw /tp2b5rm) \
    --with-blas-libs=$(spack location -i openblas /m4pegez)/lib/libopenblas.a \
    --with-lapack-libs=$(spack location -i openblas /m4pegez)/lib/libopenblas.a \
    --enable-par-linalg \
    --with-scalapack-libs=$(spack location -i netlib-scalapack /uilf25t)/lib/libscalapack.so \
    --with-blacs-libs=$(spack location -i netlib-scalapack /uilf25t)/lib/libscalapack.so \
    --enable-slepc-linalg \
    --with-petsc-path=$(spack location -i petsc /kicr7cn) \
    --with-slepc-path=$(spack location -i slepc /dmonkly)

make -j4 core
make -j4 all
# when the compilation fails on yambo_nl:
rm lib/iotk/package-ready-stamp
rm lib/iotk/package-installed
make iotk
make nl-project
Here I'm using the libraries installed with Spack, but, of course you can use the ones from your module environment.
Let me know if this works also for you.

Best,
Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

lfmenchero
Posts: 9
Joined: Mon Jun 13, 2022 6:12 pm

Re: Precompiler error with GNU compiler

Post by lfmenchero » Thu Jun 16, 2022 11:56 am

Hello Nicola.

Thanks a lot for looking into this. But the error is still happening and the compilation fails. It is this issue about the separator: 8 spaces versus one tabulation.
I have followed your instructions step by step. I have completely removed the source directory and started from scratch, downloading the source again. I am using only one CPU, so only one thread for make.
I understand it is quite hard for you to replicate the error, you should need a configuration equal to our cluster, including the pre-installed software, so you are quite taking shots in the dark.

I detail you the step-by-step procedure, from scratch.
Thanks again, your help is much appreciated.

Best.
Luis.

# Starting from scratch:
# Download
wget https://github.com/yambo-code/yambo/arc ... 1.0.tar.gz
tar -zxvf 5.1.0.tar.gz
cd yambo-5.1.0
<... Success ...>

# Replace yambo libraries
rm -rf lib/yambo
git clone https://github.com/yambo-code/yambo-libraries.git lib/yambo
<... Success ...>

# Modules
module load apps/cmake/3.18.4/gcc-9.3.0
module load compilers/gcc/9.3.0
module load mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0
module load libs/blas/3.8.0/gcc-9.3.0
module load libs/lapack/3.9.0/gcc-9.3.0
module load libs/fftw3_float/3.3.10/gcc-9.3.0+openmpi-4.0.4
module load apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4
module load petsc/3.17.2/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0

# Environment variables
export CC=/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gcc
export FC=/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gfortran
export F77=/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gfortran
export MPICC=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpicc
export MPIF90=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90
export MPIF77=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif77
export MPIFC=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90

# Precompile, config file
./configure --prefix=/opt/apps/yambo/5.1.0/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0+fftw3-3.3.10+hdf5-1.12.2+petsc-3.17.2 \
--enable-mpi=yes \
--with-mpi-path=/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0 \
--with-blas-libs=/opt/gridware/depots/54e7fb3c/el7/pkg/libs/blas/3.8.0/gcc-9.3.0/libblas.a \
--with-lapack-libs=/opt/gridware/depots/54e7fb3c/el7/pkg/libs/lapack/3.9.0/gcc-9.3.0/lib64/liblapack.a \
--with-fft-path=/opt/gridware/depots/54e7fb3c/el7/pkg/libs/fftw3_float/3.3.10/gcc-9.3.0+openmpi-4.0.4 \
--with-petsc-path=/opt/apps/petsc/3.17.2/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0 \
--with-hdf5-path=/opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4
<... Success ...>

# Compile
make -j1 core
<... lots of outputs, many packages successful compilation ...>
<... Error ...>
Making install in m4
make[7]: Nothing to be done for `install-exec-am'.
make[7]: Nothing to be done for `install-data-am'.
touch package-installed
[lib/qe_pseudo] qe_pseudo (checking work to be done)
objects.mk:8: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [qe_pseudo] Error 2
[lib/slatec] slatec (checking work to be done)
objects.mk:9: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [slatec] Error 2
[lib/math77] math77 (checking work to be done)
[lib/math77] amach
[lib/math77] erfin
[lib/math77] ermor
[lib/math77] ermsg
[lib/math77] serv1
[lib/math77] cwofz
[lib/math77] libmath77.a (lib)
[lib/local] local (checking work to be done)
[lib/local] dlaran
[lib/local] liblocal.a (lib)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
objects.mk:8: *** missing separator. Stop.
make[1]: *** [yambo] Error 2
yambo build failed
<...>

# It fails in "m4". Anyway, I continue with your instructions
rm lib/iotk/package-ready-stamp
rm lib/iotk/package-installed
make -j1 iotk
<... Success ...>
make -j1 nl-project
<... Error ...>
[yambo_nl] Compilation Precision check
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
make[4]: Nothing to be done for `all'.
[lib/qe_pseudo] qe_pseudo (checking work to be done)
objects.mk:8: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [qe_pseudo] Error 2
[lib/slatec] slatec (checking work to be done)
objects.mk:9: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
make[3]: *** [slatec] Error 2
[lib/math77] math77 (checking work to be done)
[lib/local] local (checking work to be done)
[lib/yambo/driver/src/interface] interface (checking work to be done)
[lib/yambo/driver/src/main] main (checking work to be done)
[lib/yambo/driver/src/options] options (checking work to be done)
objects.mk:8: *** missing separator. Stop.
make[1]: *** [yambo_nl] Error 2
yambo_nl build failed
<...>
Dr Luis Fernandez Menchero
Northern Ireland High Performance Computing Center
Queen's University Belfast
United Kingdom
https://www.ni-hpc.ac.uk

User avatar
Nicola Spallanzani
Posts: 62
Joined: Thu Nov 21, 2019 10:15 am

Re: Precompiler error with GNU compiler

Post by Nicola Spallanzani » Thu Jun 16, 2022 4:11 pm

The error is so strange, because the file

lib/qe_pseudo/objects.mk

contains only 2 lines and the error is reported to be at line 8... and there are no spaces at the beginning of the lines...

Can you check the version of the make executable that are you using?

Best,
Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

lfmenchero
Posts: 9
Joined: Mon Jun 13, 2022 6:12 pm

Re: Precompiler error with GNU compiler

Post by lfmenchero » Fri Jun 17, 2022 9:47 am

Hi Nicola.

I am using the make version 3.82, compiled for Red Hat or Centos, architecture x86_64.

This is the lib/qe_pseudo/objects.mk file. Line 8, under the definition of PP_objects, it continues with 8 spaces, not a tab.

Thank you.
Luis.

# 1 "lib/qe_pseudo/objects.c"
# 1 "<built-in>"
# 1 "<command-line>"
# 1 "/usr/include/stdc-predef.h" 1 3 4
# 1 "<command-line>" 2
# 1 "lib/qe_pseudo/objects.c"
PP_objects = atom.o becmod.o constants.o kind.o parameters.o pseudo_types.o s_psi.o uspp.o
qe_auxdata.o invmat.o init_us_1.o init_us_2.o radial_grids.o ylmr2.o
us_module.o recvec.o spin_orb.o simpsn.o upf_to_internal.o upf.o
read_upf_v1.o read_upf_v2.o read_pseudo.o read_ncpp.o read_uspp.o struct_fact.o
sph_ind.o spinor.o sph_bes.o qvan2.o setqf.o matches.o erf.o allocate_nlpot.o
init_run.o qe_pseudo_module.o qe_errore.o addusdens.o sum_bec.o
d_matrix.o
objs = $(PP_objects)
Dr Luis Fernandez Menchero
Northern Ireland High Performance Computing Center
Queen's University Belfast
United Kingdom
https://www.ni-hpc.ac.uk

User avatar
Nicola Spallanzani
Posts: 62
Joined: Thu Nov 21, 2019 10:15 am

Re: Precompiler error with GNU compiler

Post by Nicola Spallanzani » Fri Jun 17, 2022 3:26 pm

The content of the file for me is different:

Code: Select all

$ cat lib/qe_pseudo/objects.mk 
PP_objects = atom.o becmod.o constants.o kind.o parameters.o pseudo_types.o s_psi.o uspp.o qe_auxdata.o invmat.o init_us_1.o init_us_2.o radial_grids.o ylmr2.o us_module.o recvec.o spin_orb.o simpsn.o upf_to_internal.o upf.o read_upf_v1.o read_upf_v2.o read_pseudo.o read_ncpp.o read_uspp.o struct_fact.o sph_ind.o spinor.o sph_bes.o qvan2.o setqf.o matches.o erf.o allocate_nlpot.o init_run.o qe_pseudo_module.o qe_errore.o addusdens.o sum_bec.o d_matrix.o
objs = $(PP_objects)
and I don't have 8 spaces at the end.
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

User avatar
Nicola Spallanzani
Posts: 62
Joined: Thu Nov 21, 2019 10:15 am

Re: Precompiler error with GNU compiler

Post by Nicola Spallanzani » Fri Jun 17, 2022 3:33 pm

Hi Luis,
could you send the file "config/report" ?

I think that it could be something wrong with the precompiler or with the make used.

Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

lfmenchero
Posts: 9
Joined: Mon Jun 13, 2022 6:12 pm

Re: Precompiler error with GNU compiler

Post by lfmenchero » Mon Jun 20, 2022 10:13 am

Yes, here it is.
Luis.

~yambo/config/report
---------------------------------------------------------------
#
# [VER] 5.1
#
# - GENERAL CONFIGURATIONS -
#
# [SYS] linux@x86_64
# [SRC] /mnt/scratch2/users/3052157/yambo/yambo-5.1.0
# [BRN]
# [CMP] /mnt/scratch2/users/3052157/yambo/yambo-5.1.0
# [TGT] /opt/apps/yambo/5.1.0/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0+fftw3-3.3.10+hdf5-1.12.2+petsc-3.17.2
# [BIN] /opt/apps/yambo/5.1.0/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0+fftw3-3.3.10+hdf5-1.12.2+petsc-3.17.2/bin
# [LIB] /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external
#
# [EDITOR] vim
# [ MAKE ] make
#
# [-] Double precision
# [X] Keep object files
# [X] Run-Time timing profile
# [-] Run-Time memory profile
#
# - SCRIPTS -
#
# [-] YDB: Yambo DataBase
# [-] YAMBOpy: Yambo Python scripts
#
# - PARALLEL SUPPORT -
#
# [X] MPI
# [-] OpenMP
# [X] PARALLEL-IO (HDF5)
#
# - LIBRARIES [E=external library; I?=internal library (c=to be compiled / f=found already compiled); X=system default; -=not used;] -
#
# > I/O: (NETCDF4: HDF5-IO format, parallel IO, no data compression)
#
# [ - ] FUTILE :
#
# [ - ] YAML :
#
# [ Ic] IOTK : /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/lib/libiotk.a (QE hdf5-support)
# -I/mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/include/
# [ - ] ETSF_IO :
#
# [ Ic] NETCDF : /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/v4/parallel/lib/libnetcdff.a /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/v4/parallel/lib/libnetcdf.a
# -I/mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/v4/parallel/include -I/mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/v4/parallel/include
# [ E ] HDF5 : -L/opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/lib /opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/lib/libhdf5hl_fortran.a /opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/lib/libhdf5_hl.a /opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/lib/libhdf5_fortran.a /opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/lib/libhdf5.a -L/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/lib64 -lz -ldl -lm -Wl,-rpath -Wl,/opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/lib
# -I/opt/gridware/depots/54e7fb3c/el7/pkg/apps/hdf5_mpi/1.12.2/gcc-9.3.0+openmpi-4.0.4/include
#
# > MATH: (Internal FFTW3)
#
# [ Ic] FFT : /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/lib/libfftw3.a
# -I/mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/include/
# [ E ] BLAS : /opt/gridware/depots/54e7fb3c/el7/pkg/libs/blas/3.8.0/gcc-9.3.0/libblas.a
# [ E ] LAPACK : /opt/gridware/depots/54e7fb3c/el7/pkg/libs/lapack/3.9.0/gcc-9.3.0/lib64/liblapack.a
# [ - ] SCALAPACK :
# [ - ] BLACS :
# [ E ] PETSC : -L/opt/apps/petsc/3.17.2/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0/lib -lpetsc -ldl
# -I/opt/apps/petsc/3.17.2/gcc-9.3.0+openmpi-4.0.4+blas-3.8.0+lapack-3.9.0/include
# [ - ] SLEPC :
#
#
# > OTHERs
#
# [ Ic] LibXC : /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/lib/libxcf90.a /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/lib/libxcf03.a /mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/lib/libxc.a
# -I/mnt/scratch2/users/3052157/yambo/yambo-5.1.0/lib/external/gfortran//opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90/include
# [ E ] MPI : -L/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/lib -L/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/lib -lmpi
# -I/opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/include
# [ Ic] Ydriver : 1.1.0
#
# - COMPILERS -
#
# FC kind = gfortran GNU Fortran (GCC) 9.3.0
# MPI kind= Open MPI v4.0.4, package: Open MPI root@infra02.pri.kelvin2.alces.network Distribution, ident: 4.0.4, repo rev: v4.0.4, Jun 10, 2020
#
# [ CPP ] /opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gcc -E -I/opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/include -D_HDF5_LIB -D_HDF5_IO -D_PAR_IO -D_MPI -D_FFTW -D_TIMING -D_P2Y_QEXSD_HDF5
# [ FPP ] /opt/gridware/depots/54e7fb3c/el7/pkg/compilers/gcc/9.3.0/bin/gfortran -E -P -cpp -D_HDF5_LIB -D_HDF5_IO -D_PAR_IO -D_MPI -D_FFTW -D_TIMING
# [ CC ] /opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpicc -O2 -D_C_US -D_FORTRAN_US
# [ FC ] /opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif90 -O3 -g -mtune=native
# [ FCUF] -O0 -g -mtune=native
# [ F77 ] /opt/gridware/depots/54e7fb3c/el7/pkg/mpi/openmpi/4.0.4/gcc-9.3.0+ucx-1.8.0/bin/mpif77 -O3 -g -mtune=native
# [ F77U] -O0 -g -mtune=native
# [Cmain]
#
# You can modify compilers and flags by editing the file "config/setup"
#
Dr Luis Fernandez Menchero
Northern Ireland High Performance Computing Center
Queen's University Belfast
United Kingdom
https://www.ni-hpc.ac.uk

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