<div dir="ltr">Hello there I'm having issues with the above in a Linux centos 6.5 machine, with the following setup: CC: gcc 4.8.2 FC: gfortran 4.8.2 fft: fftw 3.3.4 blas/lapack: openblas 0.2.15 libint/libderiv: 1.1.5 cuda: 6.5-14 ==== ==== ==== ==== arch file ==== ==== ==== ==== CC = gcc CPP = FC = gfortran LD = gfortran AR = ar -r FFTW_INC = /opt/versatushpc/libraries/fftw/3.3-gnu-4.8/include FFTW_LIB = /opt/versatushpc/libraries/fftw/3.3-gnu-4.8/lib64 DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__ACC -D__PW_CUDA CPPFLAGS = FCFLAGS = $(DFLAGS) -O2 -g -ffast-math -ffree-form -ffree-line-length-none \ -ftree-vectorize -funroll-loops -fsecond-underscore \ -I/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/include -I/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/include LDFLAGS = $(FCFLAGS) LIBS = -L/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/lib64 -lopenblas \ -L/usr/local/cuda-6.5/lib64 -lcufft -lcublas -lcudart \ -L/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/lib64 -lfftw3 \ -lderiv -lint -lrt ==== ==== ==== ==== arch file ==== ==== ==== ==== "make VERSION=sopt" fails with the following error: =============================================== gfortran -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__ACC -D__PW_CUDA -O2 -g -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -fsecond-underscore -I/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/include -I/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/include -D__COMPILE_ARCH="\"cp2k-vhpc-gnu4.8-cuda\"" -D__COMPILE_DATE="\"Seg Jan 4 16:05:16 BRST 2016\"" -D__COMPILE_HOST="\"gputest-0-14\"" -D__COMPILE_REVISION="\"svn:16458\"" -D__DATA_DIR="\"/home/rpmbuild/build/cp2k-3.0/data\"" -L/home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt -o /home/rpmbuild/build /cp2k-3.0/exe/cp2k-vhpc-gnu4.8-cuda/dbcsr_example_1.sopt dbcsr_example_1.o -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lcp2kmpiwrap -lmics mm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -L/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/lib64 -lopenblas -L/usr/local/cuda-6.5/lib64 -lcufft -lcublas -lcudart -L/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/lib64 -lfftw3 -lderiv -lint -lrt /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_hostmem.o): In function `acc_hostmem_dealloc_raw': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_hostmem.F:147: undefined reference to `acc_host_mem_deallocate' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_hostmem.o): In function `acc_hostmem_alloc_raw': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_hostmem.F:120: undefined reference to `acc_host_mem_allocate' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): In function `__acc_event_MOD_acc_event_synchronize': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:249: undefined reference to `acc_event_synchronize' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): In function `__acc_event_MOD_acc_event_query': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:226: undefined reference to `acc_event_query' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): In function `__acc_event_MOD_acc_event_destroy': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:200: undefined reference to `acc_event_destroy' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): In function `__acc_event_MOD_acc_event_create': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:177: undefined reference to `acc_event_create' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): In function `__acc_event_MOD_acc_event_record': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:153: undefined reference to `acc_event_record' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): In function `__acc_event_MOD_acc_stream_wait_event': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:123: undefined reference to `acc_stream_wait_event' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): In function `__acc_stream_MOD_acc_stream_priority_range': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:210: undefined reference to `acc_stream_priority_range' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): In function `__acc_stream_MOD_acc_stream_synchronize': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:189: undefined reference to `acc_stream_sync' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): In function `__acc_stream_MOD_acc_stream_destroy': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:165: undefined reference to `acc_stream_destroy' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): In function `__acc_stream_MOD_acc_stream_create': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:142: undefined reference to `acc_stream_create' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): In function `dev2host_raw': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:493: undefined reference to `acc_memcpy_d2h' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): In function `host2dev_raw': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:457: undefined reference to `acc_memcpy_h2d' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): In function `__acc_devmem_MOD_acc_devmem_setzero_bytes': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:421: undefined reference to `acc_memset_zero' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): In function `__acc_devmem_MOD_acc_devmem_deallocate': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:375: undefined reference to `acc_dev_mem_deallocate' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): In function `__acc_devmem_MOD_acc_devmem_allocate_bytes': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:347: undefined reference to `acc_dev_mem_allocate' /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): In function `__acc_devmem_MOD_acc_devmem_ensure_size_bytes': /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:209: undefined reference to `acc_dev_mem_allocate' /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:231: undefined reference to `acc_dev_mem_deallocate' /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:225: undefined reference to `acc_memcpy_d2d' collect2: error: ld returned 1 exit status make[3]: ** [/home/rpmbuild/build/cp2k-3.0/exe/cp2k-vhpc-gnu4.8-cuda/dbcsr_example_1.sopt] Erro 1 make[2]: ** [all] Error 2 make[1]: ** [sopt] Error 2 make: ** [all] Error 2 =============================================== I've tried all gfortran options related to underscoring functions and the same error happens, both with 2.6.2 and 3.0 versions. Any clue to what's wrong is welcome. TIA, Fabricio </div>