Thank you for your observation. I switched to a more recent compiler using the software collection (scl) of centos
and the same problem occurs. Do you have any further suggestions?
Code: Select all
kaon:/data/Software/Vasp/vasp.6.4.2>make veryclean
rm -rf build/std
rm -rf build/gam
rm -rf build/ncl
paulfons@kaon:/data/Software/Vasp/vasp.6.4.2>make -j 12
if [ ! -d build/std ] ; then mkdir -p build/std ; fi
if [ ! -d build/gam ] ; then mkdir -p build/gam ; fi
if [ ! -d build/ncl ] ; then mkdir -p build/ncl ; fi
cp src/makefile src/.objects src/makedeps.awk makefile.include build/gam
cp src/makefile src/.objects src/makedeps.awk makefile.include build/std
cp src/makefile src/.objects src/makedeps.awk makefile.include build/ncl
make -C build/gam VERSION=gam check
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
exit 0
make -C build/std VERSION=std check
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make -C build/gam VERSION=gam cleandependencies -j1
make[1]: warning: -j1 forced in submake: resetting jobserver mode.
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std'
exit 0
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
rm -f .depend
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std'
make -C build/std VERSION=std cleandependencies -j1
make[1]: warning: -j1 forced in submake: resetting jobserver mode.
make -C build/ncl VERSION=ncl check
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std'
rm -f .depend
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
exit 0
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
make -C build/gam VERSION=gam all
make -C build/ncl VERSION=ncl cleandependencies -j1
make[1]: warning: -j1 forced in submake: resetting jobserver mode.
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
rsync -ru ../../src/lib .
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
rm -f .depend
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std'
make -C build/std VERSION=std all
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std'
rsync -ru ../../src/lib .
rsync -ru ../../src/parser .
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
make -C build/ncl VERSION=ncl all
rsync -ru ../../src/parser .
make[1]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
rsync -ru ../../src/lib .
rsync -u ../../src/*.F ../../src/*.inc .
rsync -ru ../../src/parser .
rsync -u ../../src/*.F ../../src/*.inc .
rsync -u ../../src/*.F ../../src/*.inc .
cp makefile.include parser
cp makefile.include parser
cp makefile.include parser
make -C parser -j1
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make[2]: warning: -j1 forced in submake: resetting jobserver mode.
make libparser.a
make -C parser -j1
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std'
make[2]: warning: -j1 forced in submake: resetting jobserver mode.
make[3]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam/parser'
nvc++ --no_warnings -D YY_parse_DEBUG=1 -c sites.cpp -o sites.o
make libparser.a
make[3]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std/parser'
nvc++ --no_warnings -D YY_parse_DEBUG=1 -c sites.cpp -o sites.o
make -C parser -j1
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
make[2]: warning: -j1 forced in submake: resetting jobserver mode.
make libparser.a
make[3]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl/parser'
nvc++ --no_warnings -D YY_parse_DEBUG=1 -c sites.cpp -o sites.o
cp makefile.include lib
cp makefile.include lib
cp makefile.include lib
make -C lib -j1
make -C lib -j1
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std'
make[2]: warning: -j1 forced in submake: resetting jobserver mode.
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make[2]: warning: -j1 forced in submake: resetting jobserver mode.
make libdmy.a
make libdmy.a
make[3]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std/lib'
nvfortran -Mpreprocess -Mfree -Mextend -E preclib.F > preclib.f90
make[3]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam/lib'
nvfortran -Mpreprocess -Mfree -Mextend -E preclib.F > preclib.f90
make -C lib -j1
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
make[2]: warning: -j1 forced in submake: resetting jobserver mode.
make libdmy.a
make[3]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl/lib'
nvfortran -Mpreprocess -Mfree -Mextend -E preclib.F > preclib.f90
"/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../include/c++/4.8.5/ext/new_allocator.h", line 99: catastrophic error: error while writing intermediate language (4) file: File too large
allocate(size_type __n, const void* = 0)
^
"/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../include/c++/4.8.5/ext/new_allocator.h", line 99: catastrophic error: error while writing intermediate language (4) file: File too large
allocate(size_type __n, const void* = 0)
^
nvfortran -O1 -Mfixed -Mfree -c -o preclib.o preclib.f90
nvfortran -O1 -Mfixed -Mfree -c -o preclib.o preclib.f90
"/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../include/c++/4.8.5/ext/new_allocator.h", line 99: catastrophic error: error while writing intermediate language (4) file: File too large
allocate(size_type __n, const void* = 0)
^
1 catastrophic error detected in the compilation of "sites.cpp".
Compilation terminated.
make[3]: *** [makefile:31: sites.o] Error 2
make[3]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam/parser'
make[2]: *** [makefile:12: all] Error 2
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam/parser'
make[1]: *** [makefile:146: parser] Error 2
make[1]: *** Waiting for unfinished jobs....
1 catastrophic error detected in the compilation of "sites.cpp".
Compilation terminated.
nvfortran -O1 -Mfixed -Mfree -c -o preclib.o preclib.f90
make[3]: *** [makefile:31: sites.o] Error 2
make[3]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std/parser'
make[2]: *** [makefile:12: all] Error 2
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std/parser'
make[1]: *** [makefile:146: parser] Error 2
make[1]: *** Waiting for unfinished jobs....
1 catastrophic error detected in the compilation of "sites.cpp".
Compilation terminated.
make[3]: *** [makefile:31: sites.o] Error 2
make[3]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl/parser'
make[2]: *** [makefile:12: all] Error 2
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl/parser'
make[1]: *** [makefile:146: parser] Error 2
make[1]: *** Waiting for unfinished jobs....
nvc -w -O -c -o timing_.o timing_.c
nvc -w -O -c -o timing_.o timing_.c
nvc -w -O -c -o timing_.o timing_.c
nvc -w -O -c -o derrf_.o derrf_.c
nvc -w -O -c -o derrf_.o derrf_.c
nvc -w -O -c -o derrf_.o derrf_.c
nvc -w -O -c -o dclock_.o dclock_.c
nvc -w -O -c -o dclock_.o dclock_.c
nvc -w -O -c -o dclock_.o dclock_.c
nvfortran -Mpreprocess -Mfree -Mextend -E diolib.F > diolib.f90
nvfortran -Mpreprocess -Mfree -Mextend -E diolib.F > diolib.f90
nvfortran -Mpreprocess -Mfree -Mextend -E diolib.F > diolib.f90
nvfortran -O1 -Mfixed -Mfree -c -o diolib.o diolib.f90
nvfortran -O1 -Mfixed -Mfree -c -o diolib.o diolib.f90
nvfortran -O1 -Mfixed -Mfree -c -o diolib.o diolib.f90
nvfortran -Mpreprocess -Mfree -Mextend -E dlexlib.F > dlexlib.f90
nvfortran -Mpreprocess -Mfree -Mextend -E dlexlib.F > dlexlib.f90
nvfortran -Mpreprocess -Mfree -Mextend -E dlexlib.F > dlexlib.f90
nvfortran -O1 -Mfixed -Mfree -c -o dlexlib.o dlexlib.f90
nvfortran -O1 -Mfixed -Mfree -c -o dlexlib.o dlexlib.f90
nvfortran -O1 -Mfixed -Mfree -c -o dlexlib.o dlexlib.f90
nvfortran -Mpreprocess -Mfree -Mextend -E drdatab.F > drdatab.f90
nvfortran -Mpreprocess -Mfree -Mextend -E drdatab.F > drdatab.f90
nvfortran -Mpreprocess -Mfree -Mextend -E drdatab.F > drdatab.f90
nvfortran -O1 -Mfixed -Mfree -c -o drdatab.o drdatab.f90
nvfortran -O1 -Mfixed -Mfree -c -o drdatab.o drdatab.f90
nvfortran -O1 -Mfixed -Mfree -c -o drdatab.o drdatab.f90
make build_info
make build_info
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/std'
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make build_info
make[2]: Entering directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
nvfortran -O1 -Mfixed -c linpack_double.f
nvfortran -O1 -Mfixed -c linpack_double.f
nvfortran -O1 -Mfixed -c linpack_double.f
printf " character(len=*), parameter :: cpp_options = '&\n&-DHOST=\"LinuxNV\" &\n&-DMPI &\n&-DMPI_BLOCK=8000 &\n&-Duse_collective &\n&-DscaLAPACK &\n&-DCACHE_SIZE=4000 &\n&-Davoidalloc &\n&-Dvasp6 &\n&-Duse_bse_te &\n&-Dtbdyn &\n&-Dqd_emulate &\n&-Dfock_dblbuf &\n&-D_OPENACC &\n&-DUSENCCL &\n&-DUSENCCLP2P'\n" > build_info.inc
printf " character(len=*), parameter :: cpp_options = '&\n&-DHOST=\"LinuxNV\" &\n&-DMPI &\n&-DMPI_BLOCK=8000 &\n&-Duse_collective &\n&-DscaLAPACK &\n&-DCACHE_SIZE=4000 &\n&-Davoidalloc &\n&-Dvasp6 &\n&-Duse_bse_te &\n&-Dtbdyn &\n&-Dqd_emulate &\n&-Dfock_dblbuf &\n&-D_OPENACC &\n&-DUSENCCL &\n&-DUSENCCLP2P'\n" > build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2 &\n&-c++libs &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-cudalib=cublas,cusolver,cufft,nccl &\n&-cuda &\n&-L/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/lib &\n&-lqdmod &\n&-lqd &\n&-Mscalapack &\n&-llapack &\n&-lblas &\n&-L/opt/fftw3/lib &\n&-lfftw3'\n" >> build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2 &\n&-c++libs &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-cudalib=cublas,cusolver,cufft,nccl &\n&-cuda &\n&-L/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/lib &\n&-lqdmod &\n&-lqd &\n&-Mscalapack &\n&-llapack &\n&-lblas &\n&-L/opt/fftw3/lib &\n&-lfftw3'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2 &\n&-c++libs'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2 &\n&-c++libs'\n" >> build_info.inc
printf " character(len=*), parameter :: cpp_options = '&\n&-DHOST=\"LinuxNV\" &\n&-DMPI &\n&-DMPI_BLOCK=8000 &\n&-Duse_collective &\n&-DscaLAPACK &\n&-DCACHE_SIZE=4000 &\n&-Davoidalloc &\n&-Dvasp6 &\n&-Duse_bse_te &\n&-Dtbdyn &\n&-Dqd_emulate &\n&-Dfock_dblbuf &\n&-D_OPENACC &\n&-DUSENCCL &\n&-DUSENCCLP2P'\n" > build_info.inc
printf " character(len=*), parameter :: fflags = '&\n&-Mbackslash &\n&-Mlarge_arrays &\n&-tp &\n&host'\n" >> build_info.inc
printf " character(len=*), parameter :: fflags = '&\n&-Mbackslash &\n&-Mlarge_arrays &\n&-tp &\n&host'\n" >> build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2 &\n&-c++libs &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-cudalib=cublas,cusolver,cufft,nccl &\n&-cuda &\n&-L/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/lib &\n&-lqdmod &\n&-lqd &\n&-Mscalapack &\n&-llapack &\n&-lblas &\n&-L/opt/fftw3/lib &\n&-lfftw3'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-cudalib=cublas,cusolver,cufft,nccl &\n&-cuda &\n&-L/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/lib &\n&-lqdmod &\n&-lqd &\n&-Mscalapack &\n&-llapack &\n&-lblas &\n&-L/opt/fftw3/lib &\n&-lfftw3'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-cudalib=cublas,cusolver,cufft,nccl &\n&-cuda &\n&-L/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/lib &\n&-lqdmod &\n&-lqd &\n&-Mscalapack &\n&-llapack &\n&-lblas &\n&-L/opt/fftw3/lib &\n&-lfftw3'\n" >> build_info.inc
rm -f libdmy.a
printf " character(len=*), parameter :: fc = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/include/qd &\n&-I/opt/fftw3/include'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/include/qd &\n&-I/opt/fftw3/include'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90 &\n&-acc &\n&-gpu=cc60,cc70,cc80,cuda12.2 &\n&-c++libs'\n" >> build_info.inc
rm -f libdmy.a
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std'
printf " character(len=*), parameter :: fflags = '&\n&-Mbackslash &\n&-Mlarge_arrays &\n&-tp &\n&host'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-cudalib=cublas,cusolver,cufft,nccl &\n&-cuda &\n&-L/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/lib &\n&-lqdmod &\n&-lqd &\n&-Mscalapack &\n&-llapack &\n&-lblas &\n&-L/opt/fftw3/lib &\n&-lfftw3'\n" >> build_info.inc
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o linpack_double.o
ar: creating libdmy.a
rm -f libdmy.a
a - preclib.o
a - timing_.o
printf " character(len=*), parameter :: incs = '&\n&-I/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/extras/qd/include/qd &\n&-I/opt/fftw3/include'\n" >> build_info.inc
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
a - linpack_double.o
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o linpack_double.o
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
a - linpack_double.o
make[3]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam/lib'
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam/lib'
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/gam'
make: *** [makefile:17: gam] Error 2
make: *** Waiting for unfinished jobs....
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o linpack_double.o
make[3]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std/lib'
ar: creating libdmy.a
a - preclib.o
a - timing_.o
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std/lib'
a - derrf_.o
a - dclock_.o
a - diolib.o
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/std'
a - dlexlib.o
a - drdatab.o
a - linpack_double.o
make: *** [makefile:17: std] Error 2
make[3]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl/lib'
make[2]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl/lib'
make[1]: Leaving directory '/data/Software/Vasp/vasp.6.4.2/build/ncl'
make: *** [makefile:17: ncl] Error 2
paulfons@kaon:/data/Software/Vasp/vasp.6.4.2>nvfortran --version
nvfortran 23.7-0 64-bit target on x86-64 Linux -tp icelake-server
NVIDIA Compilers and Tools
Copyright (c) 2022, NVIDIA CORPORATION & AFFILIATES. All rights reserved.