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-fPIC and -mcmodel=large on aarch64 #288

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scemama opened this issue Apr 30, 2024 · 0 comments
Open

-fPIC and -mcmodel=large on aarch64 #288

scemama opened this issue Apr 30, 2024 · 0 comments

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@scemama
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scemama commented Apr 30, 2024

I am trying to compile CHAMP on an ARM CPU with GCC, and I get an error.
gfortran on ARM doesn't seem to support both -fPIC and -mcmodel=large:
https://gcc.gnu.org/onlinedocs/gcc/AArch64-Options.html

Can we remove the -fPIC flag? Usually, this one is for compiling shared libraries.

-- The Fortran compiler identification is GNU 11.4.0
-- The C compiler identification is GNU 11.4.0
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Check for working Fortran compiler: /usr/bin/mpif90 - skipped
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
 ____________________________________________________________________


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 d88P  Y88b  888    888        d88888  8888b   d8888  888   Y88b
 888    888  888    888       d88P888  88888b.d88888  888    888
 888         8888888888      d88P 888  888Y88888P888  888   d88P
 888         888    888     d88P  888  888 Y888P 888  8888888P''
 888    888  888    888    d88P   888  888  Y8P  888  888
 Y88b  d88P  888    888   d8888888888  888   '   888  888
  'Y8888P'   888    888  d88P     888  888       888  888

 ____________________________________________________________________


-- Compiling                        :: CHAMP
-- Fortran compiler                 :: /usr/bin/mpif90
-- Fortran compiler version         :: 11.4.0

-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - found
-- Looking for Fortran cheev
-- Looking for Fortran cheev - found
-- Using BLAS and LAPACK for the linear algebra calculations!
-- BLAS and LAPACK LIBRARIES          :
                                    :: /usr/lib/aarch64-linux-gnu/libopenblas.so

Looking for TREXIO library:
-- Is TREXIO library found          :: TRUE
-- TREXIO Library include dirs      :: /usr/include
-- TREXIO Library lib dirs          :: /usr/lib/libtrexio.so
--

Looking for QMCkl library:

Looking for the QMCKL library:
-- Is QMCkl library found           :: TRUE
-- QMCKL Library include dirs       :: /usr/include
-- QMCKL Library lib dirs           :: /usr/lib/libqmckl.so

-- Found MPI_Fortran: /usr/bin/mpif90 (found version "3.1")
-- Found MPI: TRUE (found version "3.1") found components: Fortran
-- Vectorization status
-- Vectorization is default


---------------------------------------------------------------------
 System Information
---------------------------------------------------------------------
-- OS Name                          :: Linux
-- OS Release                       :: 5.15.0-105-generic
-- OS Version                       :: #115-Ubuntu SMP Mon Apr 15 09:52:04 UTC 2024
-- OS Platform                      :: aarch64
-- Domain Name                      :: ubuntu-arm
-- Processor                        :: 1 core 0 MHz Unknown family
-- Number of Logical Cores          :: 8
-- Number of Physical Cores         :: 1
-- Total Virtual Memory             :: 3906 MB
-- Available Virtual Memory         :: 3893 MB
-- Total Physical Memory            :: 3907 MB
-- Available Physical Memory        :: 3489 MB

fatal: No names found, cannot describe anything.
fatal: No names found, cannot describe anything.


---------------------------------------------------------------------
Printing the version control information :: git
---------------------------------------------------------------------
-- git dir                          :: /opt/champ/.git

-- git head branch                  :: main
-- git revision                     :: c73897f
-- git revision hash                :: c73897f2f588e1b56f14d16117875cf338ee8656
-- git revision name                :: fix kref for forces

-- git author name                  :: Emiel Slootman
-- git author email                 :: [email protected]
-- git author date                  :: Thu Apr 25 16:46:23 2024 +0200
-- git author date iso              :: 2024-04-25T16:46:23+02:00

-- git committer name               :: Emiel Slootman
-- git committer email              :: [email protected]
-- git committer date               :: Thu Apr 25 16:46:23 2024 +0200
-- git committer date iso           :: 2024-04-25T16:46:23+02:00

-- git remote origin url            :: https://github.com/filippi-claudia/champ.git
-- git latest tag long              ::
-- git latest tag                   ::
---------------------------------------------------------------------

-- Fortran compiler flags   :
                                    :: -O2
                                    :: -cpp
                                    :: -mcmodel=large
                                    :: -ffree-line-length-none
                                    :: -D_MPI_
                                    :: -DCLUSTER
-- GPU IS ENABLED
-- QMMM is NOT enabled!
--  Tests are enabled ::  cd build; ctest
 Adding test /opt/champ/tests/CI_test/DMC-C4H6-ci1010_pVTZ-500-dets/DMC_C4H6_ci1010_pVTZ_500-dets_butadiene.sh
   DMC;C4H6;ci1010;pVTZ;500-dets;butadiene;DMC-C4H6-ci1010_pVTZ-500-dets
 Adding test /opt/champ/tests/CI_test/DMC-TREXIO-water-DFT-jas2body_tau0.05/DMC_TREXIO_H2O_DFT_2body_tau0.05_water.sh
   DMC;TREXIO;H2O;DFT;2body;tau0.05;water;DMC-TREXIO-water-DFT-jas2body_tau0.05
 Adding test /opt/champ/tests/CI_test/VMC-C4H6-ci1010_pVTZ-00500-dets/VMC_C4H6_ci1010_pVTZ_500-dets_butadiene_optimization.sh
   VMC;C4H6;ci1010;pVTZ;500-dets;butadiene;optimization;VMC-C4H6-ci1010_pVTZ-00500-dets
 Adding test /opt/champ/tests/CI_test/VMC-C4H6-ci1010_pVTZ-05000-dets/VMC_C4H6_ci1010_pVTZ_5000-dets_butadiene_optimization.sh
   VMC;C4H6;ci1010;pVTZ;5000-dets;butadiene;optimization;VMC-C4H6-ci1010_pVTZ-05000-dets
 Adding test /opt/champ/tests/CI_test/VMC-C4H6-ci1010_pVTZ-15000-dets/VMC_C4H6_ci1010_pVTZ_15000-dets_butadiene_optimization.sh
   VMC;C4H6;ci1010;pVTZ;15000-dets;butadiene;optimization;VMC-C4H6-ci1010_pVTZ-15000-dets
 Adding test /opt/champ/tests/CI_test/VMC-C4H6-ci44_pVQZ_20_dets_12_csf_noopt/VMC_C4H6_ci44_pVQZ_20-dets_12-csf_energy-only_butadiene.sh
   VMC;C4H6;ci44;pVQZ;20-dets;12-csf;energy-only;butadiene;VMC-C4H6-ci44_pVQZ_20_dets_12_csf_noopt
 Adding test /opt/champ/tests/CI_test/VMC-C4H6-ci44_pVQZ_20_dets_12_csf_optall/VMC_C4H6_ci44_pVQZ_20-dets_12-csf_optimization_butadiene.sh
   VMC;C4H6;ci44;pVQZ;20-dets;12-csf;optimization;butadiene;VMC-C4H6-ci44_pVQZ_20_dets_12_csf_optall
 Adding test /opt/champ/tests/CI_test/VMC-C4H6-ras1022_Q_optWF+geo-64000dets/VMC_C4H6_ras1022_SDT_pVQZ_geometry_optimization_64000-dets_butadiene.sh
   VMC;C4H6;ras1022;SDT;pVQZ;geometry;optimization;64000-dets;butadiene;VMC-C4H6-ras1022_Q_optWF+geo-64000dets
 Adding test /opt/champ/tests/CI_test/VMC-H2/VMC_H2_STO-CVB1_corsamp_hydrogen.sh
   VMC;H2;STO-CVB1;corsamp;hydrogen;VMC-H2
 Adding test /opt/champ/tests/CI_test/VMC-H2/VMC_H2_STO-CVB1_energy_hydrogen.sh
   VMC;H2;STO-CVB1;energy;hydrogen;VMC-H2
 Adding test /opt/champ/tests/CI_test/VMC-HNO-cipsi_322_dets_143_csfs_noopt/VMC-HNO-cipsi_322_dets_143_csfs_noopt.sh
   VMC-HNO-cipsi;322;dets;143;csfs;noopt;VMC-HNO-cipsi_322_dets_143_csfs_noopt
 Adding test /opt/champ/tests/CI_test/VMC-HNO-cipsi_322_dets_143_csfs_optall/VMC-HNO-cipsi_322_dets_143_csfs_optall.sh
   VMC-HNO-cipsi;322;dets;143;csfs;optall;VMC-HNO-cipsi_322_dets_143_csfs_optall
 Adding test /opt/champ/tests/CI_test/VMC-PSB2-36_dets-20_csfs_ci44_BFD-Da/VMC-PSB2-36_dets-20_csfs_ci44_mixn.sh
   VMC-PSB2-36;dets-20;csfs;ci44;mixn;VMC-PSB2-36_dets-20_csfs_ci44_BFD-Da
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-CH2O-excited-8724-dets-BFD-aug-cc-pVDZ/VMC_TREXIO_CH2O_excited_8724-dets_BFD-aug-cc-pVDZ_formaldehyde_energy.sh
   VMC;TREXIO;CH2O;excited;8724-dets;BFD-aug-cc-pVDZ;formaldehyde;energy;VMC-TREXIO-CH2O-excited-8724-dets-BFD-aug-cc-pVDZ
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-CH2O-ground-1862-dets-BFD-aug-cc-pVDZ/VMC_TREXIO_CH2O_ground_1862-dets_BFD-aug-cc-pVDZ_formaldehyde_energy.sh
   VMC;TREXIO;CH2O;ground;1862-dets;BFD-aug-cc-pVDZ;formaldehyde;energy;VMC-TREXIO-CH2O-ground-1862-dets-BFD-aug-cc-pVDZ
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-H2O-DFT-optall/VMC_TREXIO_H2O_DFT_optimization_water.sh
   VMC;TREXIO;H2O;DFT;optimization;water;VMC-TREXIO-H2O-DFT-optall
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-QMCKL-C2H6O-optorb/VMC_TREXIO_QMCKL_C2H6O_ethanol_optimization.sh
   VMC;TREXIO;QMCKL;C2H6O;ethanol;optimization;VMC-TREXIO-QMCKL-C2H6O-optorb
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-text-hdf5-backend-comparison/VMC_TREXIO_text_hdf5_backend_comparison_butadiene_energy_ci1010_pVTZ.sh
   VMC;TREXIO;text;hdf5;backend;comparison;butadiene;energy;ci1010;pVTZ;VMC-TREXIO-text-hdf5-backend-comparison
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-text-hdf5-backend-comparison/hdf5.sh
   hdf5;VMC-TREXIO-text-hdf5-backend-comparison
 Adding test /opt/champ/tests/CI_test/VMC-TREXIO-text-hdf5-backend-comparison/text.sh
   text;VMC-TREXIO-text-hdf5-backend-comparison
-- The CXX compiler identification is GNU 11.4.0
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Build Unit Tests:
-- Configuring done
-- Generating done
-- Build files have been written to: /opt/champ/build
Scanning dependencies of target parser
Scanning dependencies of target pspline
Scanning dependencies of target shared_modules
[  0%] Building C object src/vmc/CMakeFiles/rng.dir/xoroshiro256starstar.c.o
[  1%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/bcspeval.f.o
[  2%] Building Fortran object src/parser/CMakeFiles/parser.dir/prec.F90.o
[  2%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/bcspline.f.o
[  2%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/mktricub.f.o
[  3%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/fvtricub.f.o
[  3%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/ibc_ck.f.o
[  3%] Building Fortran object src/module/CMakeFiles/shared_modules.dir/__/parser/prec.F90.o
[  3%] Building Fortran object src/parser/CMakeFiles/parser.dir/utils.F90.o
[  4%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/mktricubw.f.o
[  4%] Building Fortran object lib/pspline/CMakeFiles/pspline.dir/r8bcspeval.f.o
f951: sorry, unimplemented: code model 'large' with '-fPIC'
@scemama scemama changed the title -fPIC and -mcmodel=large on aarch86 -fPIC and -mcmodel=large on aarch64 Apr 30, 2024
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