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Error: More actual than formal arguments in procedure call at (1) #115

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samfux84 opened this issue May 7, 2021 · 10 comments
Open

Error: More actual than formal arguments in procedure call at (1) #115

samfux84 opened this issue May 7, 2021 · 10 comments

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@samfux84
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samfux84 commented May 7, 2021

Hi,

I am trying to compile LATTE 1.2.2 on our HPC cluster to provide it as dependency for LAMMPS. When trying to compile the code, it always fails with the error:

[ 73%] Building Fortran object CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/pairpot_plusD.F90.o
/cluster/apps/spack/lib/spack/env/gcc/gfortran -DDBCSR_OFF -DDOUBLEPREC -DGPUOFF -DMPI_OFF -DPROGRESSON -DXSYEV -Dlatte_EXPORTS -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/qmd-progress-1.1.0-7bmae654fxh5jvknymanrypqeynltlud/include -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/bml-1.3.1-njkttijxcxxy7wm6rpctxzgnqo7ohocu/include  -O2 -g -DNDEBUG -fPIC   -cpp -c /dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/pairpotspline.F90 -o CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/pairpotspline.F90.o
/cluster/apps/spack/lib/spack/env/gcc/gfortran -DDBCSR_OFF -DDOUBLEPREC -DGPUOFF -DMPI_OFF -DPROGRESSON -DXSYEV -Dlatte_EXPORTS -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/qmd-progress-1.1.0-7bmae654fxh5jvknymanrypqeynltlud/include -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/bml-1.3.1-njkttijxcxxy7wm6rpctxzgnqo7ohocu/include  -O2 -g -DNDEBUG -fPIC   -cpp -c /dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/readppotD.F90 -o CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/readppotD.F90.o
/cluster/apps/spack/lib/spack/env/gcc/gfortran -DDBCSR_OFF -DDOUBLEPREC -DGPUOFF -DMPI_OFF -DPROGRESSON -DXSYEV -Dlatte_EXPORTS -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/qmd-progress-1.1.0-7bmae654fxh5jvknymanrypqeynltlud/include -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/bml-1.3.1-njkttijxcxxy7wm6rpctxzgnqo7ohocu/include  -O2 -g -DNDEBUG -fPIC   -cpp -c /dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/pairpot_plusD.F90 -o CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/pairpot_plusD.F90.o
/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/cmake-3.16.5-3fujrpnymqhrlkcd67dwc2y76rve6cll/bin/cmake -E cmake_copy_f90_mod subgraph.mod CMakeFiles/latte.dir/subgraph.mod.stamp GNU
/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/bodirectprogress.F90:66.83:

L PRG_BUILD_DENSITY_T(ORTHOH_BML,BO_BML,NUMTHRESH,BNDFIL,KBT,CHEMPOT,EVALS)
                                                                           1
Error: More actual than formal arguments in procedure call at (1)
/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/bodirectprogress.F90:70.72:

     CALL PRG_BUILD_DENSITY_T0(ORTHOH_BML,BO_BML,NUMTHRESH,BNDFIL,EVALS)
                                                                        1
Error: More actual than formal arguments in procedure call at (1)
make[2]: *** [CMakeFiles/latte.dir/build.make:482: CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/bodirectprogress.F90.o] Error 1
make[2]: *** Waiting for unfinished jobs....
[ 74%] Building Fortran object CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/addqdep.F90.o
/cluster/apps/spack/lib/spack/env/gcc/gfortran -DDBCSR_OFF -DDOUBLEPREC -DGPUOFF -DMPI_OFF -DPROGRESSON -DXSYEV -Dlatte_EXPORTS -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/qmd-progress-1.1.0-7bmae654fxh5jvknymanrypqeynltlud/include -I/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/bml-1.3.1-njkttijxcxxy7wm6rpctxzgnqo7ohocu/include  -O2 -g -DNDEBUG -fPIC   -cpp -c /dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/addqdep.F90 -o CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/addqdep.F90.o
make[2]: Leaving directory '/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/spack-build'
make[1]: *** [CMakeFiles/Makefile2:109: CMakeFiles/latte.dir/all] Error 2
make[1]: Leaving directory '/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/spack-build'
make: *** [Makefile:133: all] Error 2

I tried to compile it with GCC 4.8.5, 6.3.0 and 8.2.0 and I always get the same error.

I am using the following cmake command:

==> 'cmake' '/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/cmake' '-G' 'Unix Makefiles' '-DCMAKE_INSTALL_PREFIX:PATH=/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/latte-1.2.2-qwd5jy4zfn6nqburvp7ryec3dexmkfmn' '-DCMAKE_BUILD_TYPE:STRING=RelWithDebInfo' '-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON' '-DCMAKE_INSTALL_RPATH_USE_LINK_PATH:BOOL=FALSE' '-DCMAKE_INSTALL_RPATH:STRING=/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/latte-1.2.2-qwd5jy4zfn6nqburvp7ryec3dexmkfmn/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/latte-1.2.2-qwd5jy4zfn6nqburvp7ryec3dexmkfmn/lib64;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/openblas-0.3.7-j4mrhyjveh4c4eaq4khmbjxhrxdrrwoc/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/openmpi-4.0.2-aefelx62suf7zios27nt4uslj6fohs7g/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/hwloc-1.11.8-vykxhhf4mwnxlrrcypvroj45y6knn6yh/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/libpciaccess-0.13.5-epnssvyis4oeev5zhwfeu32y5h232od3/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/libxml2-2.9.4-43m5fngq7rnghlwd3annnuih2h2vznzo/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/xz-5.2.3-gla7wvbtt5igzfbgwlazihdhqxz43avb/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/zlib-1.2.11-tu4n3a4rud6dtfqmgmgfrb32liysc5lu/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/numactl-2.0.12-4kubjdqlly6e7gzygbsewh7wqtoglux7/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/jdk-8u141-b15-c74zy6m2pxknjkgmr5hfkcyuomurgvpd/lib;/cluster/apps/lsf/10.1/linux2.6-glibc2.3-x86_64/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/ucx-1.6.1-hx7icir43kyx5hoaj752ixk2tuwu75kb/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/rdma-core-20-6pvihyokygwmnvkim24kwfctzaeda4qo/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/libnl-3.3.0-t7ovifx2qdgtaisiccdsxcn7ml6ufu4o/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/metis-5.1.0-iennmlkbyexvyt5labjpnf6jwh7yo4tr/lib;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/cuda-10.1.243-7tq43deb5x4dbs4oe427w4zszno23q6r/lib64;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/rdma-core-20-6pvihyokygwmnvkim24kwfctzaeda4qo/lib64;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/qmd-progress-1.1.0-7bmae654fxh5jvknymanrypqeynltlud/lib64;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/bml-1.3.1-njkttijxcxxy7wm6rpctxzgnqo7ohocu/lib64' '-DCMAKE_PREFIX_PATH:STRING=/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/openmpi-4.0.2-aefelx62suf7zios27nt4uslj6fohs7g;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/cmake-3.16.5-3fujrpnymqhrlkcd67dwc2y76rve6cll;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/qmd-progress-1.1.0-7bmae654fxh5jvknymanrypqeynltlud;/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/openblas-0.3.7-j4mrhyjveh4c4eaq4khmbjxhrxdrrwoc' '-DBUILD_SHARED_LIBS=ON' '-DO_MPI=yes' '-DPROGRESS=yes' '-DBLAS_LIBRARIES=/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/openblas-0.3.7-j4mrhyjveh4c4eaq4khmbjxhrxdrrwoc/lib/libopenblas.so' '-DLAPACK_LIBRARIES=/cluster/spack/apps/linux-centos7-x86_64/gcc-4.8.5/openblas-0.3.7-j4mrhyjveh4c4eaq4khmbjxhrxdrrwoc/lib/libopenblas.so'

Is this a known problem? Any help is appreciated.
@samfux84
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samfux84 commented May 7, 2021

Just tested with version 1.2.1 and I get the same error with this version

@cawkwell
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cawkwell commented May 7, 2021 via email

@cnegre
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cnegre commented May 7, 2021 via email

@jmohdyusof
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Based on the actual error message, I tried to find the definition of those functions, and I cannot see them anywhere, only the calls to the function. Where are they actually defined?

@mewall
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mewall commented May 7, 2021 via email

@jmohdyusof
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Yeah, my point was people keep commenting on cmake build and versions when the error is exactly as stated, that the routine is being called with too many arguments. As I said, I can't find the definition of the function to check.

@jmohdyusof
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Well, I found them defined (all in lower case) in qmd-progress/src/prg_densitymatrix_mod.F90:

subroutine prg_build_density_T0(ham_bml, rho_bml, threshold, bndfil, eigenvalues_out)
subroutine prg_build_density_T(ham_bml, rho_bml, threshold, bndfil, kbt, ef, eigenvalues_out)

The number of arguments appear to be correct, so perhaps the versions of LATTE and PROGRESS-BML are out of sync?

@mewall
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mewall commented May 9, 2021 via email

@samfux84
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Hi,

Thank you for your replies. The user that requested the LAMMPS installation informed me, that he does not explicitely require the LATTE package. You can therefore close this issue.

If LATTE requires a particular version of qml-progress, then it would be nice if this is mentioned in the documentation.

Best regards

@jmohdyusof
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jmohdyusof commented May 10, 2021 •
edited
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For reference, the versions of the code I was looking at were from the LATTE_SUPER git repository which includes compatible versions of LATTE, bml, lammps and qmd-progress

@ghbrown ghbrown mentioned this issue Apr 19, 2022
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@jmohdyusof @mewall @samfux84 @cnegre @cawkwell