CommitSHA: 100c7f8c7142985b03c6060e36ea928dcccbd16e CommitTime: 2021-11-20 14:52:06 +0100 CommitAuthor: Matthias Krack CommitSubject: Adjust tolerance ModuleCmd_Switch.c(179):ERROR:152: Module 'PrgEnv-cray' is currently not loaded cudatoolkit(3):ERROR:105: Unable to locate a modulefile for 'cudatoolkit/11.0.2_3.34-7.0.2.1_4.6__g017096a' Switching to atp/3.8.1. Switching to cray-fftw/3.3.8.8. Switching to cray-libsci/20.09.1. Switching to cray-mpich/7.7.16. Switching to craype/2.7.3. Switching to gcc/9.3.0. Switching to modules/3.2.11.4. Switching to perftools-base/20.10.0. Switching to pmi/5.0.17. *************************** testing started ****************************** started on Sat Nov 20 19:00:29 CET 2021 configuration: CRAY_XC50-gfortran_gpu-psmp regtesting location summary file: /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/TEST-CRAY_XC50-gfortran_gpu-psmp-2021-11-20_19-00-28/summary.txt regtesting location error_summary file: /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/TEST-CRAY_XC50-gfortran_gpu-psmp-2021-11-20_19-00-28/error_summary regtesting location memory_summary file: /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/TEST-CRAY_XC50-gfortran_gpu-psmp-2021-11-20_19-00-28/memory_summary regtesting location output dir: /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/TEST-CRAY_XC50-gfortran_gpu-psmp-2021-11-20_19-00-28 regtesting location last dir: /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/LAST-CRAY_XC50-gfortran_gpu-psmp ---------------------------- Settings ------------------------------------ maxtasks = 24 numprocs = 2 OMP_NUM_THREADS = 2 OMP_STACKSIZE = (default) KMP_STACKSIZE = (not set) cp2k_run_prefix = /usr/bin/time -p srun --exclusive --bcast=/tmp/alazzaro --nodes=3 --ntasks=9 --ntasks-per-node=3 --cpus-per-task=4 --ntasks-per-core=1 --hint=nomultithread --time=02:55:00 cp2k_run_postfix = cp2k_prefix = /usr/bin/time -p srun --exclusive --bcast=/tmp/alazzaro --nodes=3 --ntasks=9 --ntasks-per-node=3 --cpus-per-task=4 --ntasks-per-core=1 --hint=nomultithread --time=02:55:00 /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exe/CRAY_XC50-gfortran_gpu/cp2k.psmp cp2k_postfix = cp2k_version = psmp dir_triplet = CRAY_XC50-gfortran_gpu job_max_time = 8000 leakcheck = NO doretest = no nobuild = build quick = noquick shard = 1 / 1 skiptest = skiptest do_unit_test = yes farming = yes maxbuildtasks = 24 mem_limit = unlimited --------------------------- GIT ------------------------------------------ CommitSHA: 100c7f8c7142985b03c6060e36ea928dcccbd16e Commmit SHA of submodule in tools/prettify/fprettify: 71781aaaa0cd513e0e25093a3b69fbdd778e8409 Commmit SHA of submodule in exts/dbcsr: a221523a5b9a3942d39786e212fa2a74cffb5c7b Commmit SHA of submodule in exts/dbcsr/modules/tools/fprettify: c27fff438bb0124c854962b9fa4eb4b3b1b40030 Commmit SHA of submodule in exts/dbcsr/modules/tools/build_utils/fypp: 7895a7efb7d2f07dc284cece6cc9474297b8dc55 CommitTime: 2021-11-20 14:52:06 +0100 CommitAuthor: Matthias Krack CommitAuthorEmail: matthias.krack@psi.ch CommitSubject: Adjust tolerance --------------------------- Resource limits ------------------------------ RESOURCE DESCRIPTION SOFT HARD UNITS AS address space limit unlimited unlimited bytes CORE max core file size unlimited unlimited bytes CPU CPU time 14400 14400 seconds DATA max data size unlimited unlimited bytes FSIZE max file size unlimited unlimited bytes LOCKS max number of file locks held unlimited unlimited locks MEMLOCK max locked-in-memory address space 65536 65536 bytes MSGQUEUE max bytes in POSIX mqueues 819200 819200 bytes NICE max nice prio allowed to raise 0 0 NOFILE max number of open files 262140 262140 files NPROC max number of processes 1027577 1027577 processes RSS max resident set size unlimited unlimited bytes RTPRIO max real-time priority 0 0 RTTIME timeout for real-time tasks unlimited unlimited microsecs SIGPENDING max number of pending signals 1027577 1027577 signals STACK max stack size unlimited unlimited bytes --------------------------- SELinux -------------------------------------- SELinux is installed and is Disabled --------------------------- Preparations --------------------------------- make realclean ARCH=CRAY_XC50-gfortran_gpu VERSION="psmp" went fine --------------------------- ARCH-file ------------------------------------ # === For Cray XC50 (PizDaint GPU-partition) ==== # Program environments: # # module load daint-gpu # module swap PrgEnv-cray PrgEnv-gnu/6.0.8 # module load cray-fftw/3.3.8.7 # module load cudatoolkit/10.2.89_3.28-7.0.2.1_2.17__g52c0314 # # === LIBRARIES and MODULES === # Please make your choice for precompiled libraries. # - UZH group members - take this: BDIR = /store/uzh/uzh1 # - all others - take the nightly mirror: #BDIR = /scratch/snx3000/alazzaro # === CONFIGURE TO YOUR NEEDS (1 = true, 0 = false) === USE_DBCSR_CUDA = 1 USE_FFT_CUDA = 1 # =========================================== # === DO not change anything from here on === # =========================================== USE_CUDA = 0 ifeq (1,$(USE_DBCSR_CUDA)) USE_CUDA = 1 DFLAGS += -D__ACC -D__DBCSR_ACC LIBS += -lcudart -lcublas -lrt endif ifeq (1,$(USE_FFT_CUDA)) USE_CUDA = 1 DFLAGS += -D__PW_CUDA LIBS += -lcufft -lrt endif LDIR = $(BDIR)/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu LIBS += -L$(LDIR)/elpa/lib -lelpa_openmp LIBS += -L$(LDIR)/libxsmm/lib -lxsmmf -lxsmm -ldl LIBS += -L$(LDIR)/libxc/lib -lxcf03 -lxc LIBS += -L$(LDIR)/libint/lib -lint2 -lstdc++ INCS = -I$(LDIR)/elpa/include/elpa_openmp-2020.11.001/modules INCS += -I$(LDIR)/elpa/include/elpa_openmp-2020.11.001/elpa INCS += -I$(LDIR)/libxsmm/include INCS += -I$(LDIR)/libxc/include INCS += -I$(LDIR)/libint/include # === PRE-PROCESSOR FLAGS === DFLAGS += -D__parallel -D__SCALAPACK -D__ELPA \ -D__FFTW3 \ -D__LIBXSMM \ -D__LIBXC \ -D__LIBINT \ -D__MAX_CONTR=4 DFLAGS += -DNDEBUG # === BINARIES (COMPILER, LINKER, ...) === CC = cc FC = ftn LD = ftn AR = ar -r ifeq (1,$(USE_CUDA)) OFFLOAD_CC = nvcc DFLAGS += -D__GRID_CUDA endif # === COMPILER FLAGS === # detailed optimization description (for PizDaint GPU-partition!): # -O3 = -O2 -finline-functions -funswitch-loops -fpredictive-commoning -fgcse-after-reload -ftree-vectorize # -march=haswell = (set internally via module:) -msse, -msse2, -msse3, -mssse3, -msse4, -msse4.1, -msse4.2, -mavx, -mavx2 # -mtune=haswell = (set internally via module:) [optimize for this instruction set only] # -funroll-loops = unroll loops where the number of iterations is known at compiler time or on entry to the loop # AFLAGS = $(DFLAGS) $(INCS) -g1 -fopenmp -fopenmp-simd -O3 -funroll-loops FCFLAGS = $(AFLAGS) -ffree-form -ffree-line-length-512 CFLAGS = $(AFLAGS) LDFLAGS = $(FCFLAGS) ifeq (1,$(USE_CUDA)) CXX = CC CXXFLAGS = $(AFLAGS) -std=c++11 OFFLOAD_FLAGS = $(DFLAGS) -g -O3 -Xcompiler='-fopenmp' --std=c++11 GPUVER = P100 LIBS += -lcudart -lnvrtc endif #FCFLAGS += -fcheck=bounds,do,recursion,pointer -Wconversion -fbacktrace -------------------------- Build-Tools ----------------------------------- Discovering programs ... =========== FC (psmp) =========== ftn --version GNU Fortran (GCC) 9.3.0 20200312 (Cray Inc.) Copyright (C) 2019 Free Software Foundation, Inc. This is free software; see the source for copying conditions. There is NO warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. =========== CC (psmp) =========== cc --version gcc (GCC) 9.3.0 20200312 (Cray Inc.) Copyright (C) 2019 Free Software Foundation, Inc. This is free software; see the source for copying conditions. There is NO warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. ========== OFFLOAD_CC (psmp) ========== nvcc --version make[2]: nvcc: Command not found make[2]: *** [/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/Makefile:209: toolversions] Error 127 make[1]: *** [/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/Makefile:140: psmp] Error 2 make: *** [Makefile:135: toolversions] Error 2 ----------------------- External Modules --------------------------------- Discovering programs ... DBCSR Version: 2.2.0-rc0 (2021-09-27) ---------------------------- Modules ------------------------------------- Currently Loaded Modulefiles: 1) modules/3.2.11.4(default) 2) cge/3.2.1463_r03f4dfb_fe3.3.0_2019062614 3) craype-network-aries 4) gcc/9.3.0 5) craype/2.7.3(default) 6) cray-mpich/7.7.16(default) 7) slurm/20.11.7-7 8) craype-haswell 9) xalt/2.8.10 10) cray-libsci/20.09.1(default) 11) udreg/2.3.2-7.0.2.1_2.52__g8175d3d.ari 12) ugni/6.0.14.0-7.0.2.1_3.77__ge78e5b0.ari 13) pmi/5.0.17(default) 14) dmapp/7.1.1-7.0.2.1_2.98__g38cf134.ari 15) gni-headers/5.0.12.0-7.0.2.1_2.34__g3b1768f.ari 16) xpmem/2.2.20-7.0.2.1_2.72__g87eb960.ari 17) job/2.2.4-7.0.2.1_2.86__g36b56f4.ari 18) dvs/2.12_2.2.177-7.0.2.1_13.5__g0b75e43d 19) alps/6.6.59-7.0.2.1_3.85__g872a8d62.ari 20) rca/2.2.20-7.0.2.1_2.93__g8e3fb5b.ari 21) atp/3.8.1(default) 22) perftools-base/20.10.0(default) 23) PrgEnv-gnu/6.0.9 24) daint-gpu/20.11 25) cray-fftw/3.3.8.8(default) 26) cdt-cuda/20.11 ------------------------ compiling cp2k ---------------------------------- make -j 24 ARCH=CRAY_XC50-gfortran_gpu VERSION=psmp (make output is written to /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/TEST-CRAY_XC50-gfortran_gpu-psmp-2021-11-20_19-00-28/make.out) xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx Discovering programs ... Clean DBCSR rm -f /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/libsmm_acc/parameters.h /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/libsmm_acc/smm_acc_kernels.h /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/libsmm_acc/*.so rm -f /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/libsmm_acc/../opencl/smm/opencl_kernels.h rm -f /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/tests/libsmm_acc_unittest_multiply.cpp rm -f /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/tests/libsmm_acc_timer_multiply.cpp rm -rf /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/obj/CRAY_XC50-gfortran_gpu/psmp/exts/dbcsrclean Clean EXT rm -rf /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/obj/CRAY_XC50-gfortran_gpu/psmp rm -rf /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/lib/CRAY_XC50-gfortran_gpu/psmp rm -rf /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exe/CRAY_XC50-gfortran_gpu/*.psmp /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exe/CRAY_XC50-gfortran_gpu/*.psmp.dbg /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exe/CRAY_XC50-gfortran_gpu/cp2k.[ps]opt rm -rf /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/obj/CRAY_XC50-gfortran_gpu/psmp rm -rf /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/lib/CRAY_XC50-gfortran_gpu/psmp Discovering programs ... make -C /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr -f /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/build_dbcsr/Makefile \ ARCHFILE=/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/arch/CRAY_XC50-gfortran_gpu.psmp \ LIBDIR=/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/lib/CRAY_XC50-gfortran_gpu/psmp/exts/dbcsr \ OBJDIR=/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/obj/CRAY_XC50-gfortran_gpu/psmp/exts/dbcsr \ USE_ACCEL="cuda" \ ACC="nvcc" \ ACCFLAGS="-D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__parallel -D__SCALAPACK -D__ELPA -D__FFTW3 -D__LIBXSMM -D__LIBXC -D__LIBINT -D__MAX_CONTR=4 -DNDEBUG -D__GRID_CUDA -g -O3 -Xcompiler='-fopenmp' --std=c++11" Removing stale archives for psmp ... Resolving dependencies for psmp ... Removing stale archives ... Resolving dependencies ... /usr/bin/env python3 /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/base/dbcsr_kinds.F dbcsr_kinds.F90 /usr/bin/env python3 /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/utils/dbcsr_btree.F dbcsr_btree.F90 /usr/bin/env python3 /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/hip/dbcsr_hip_profiling.F dbcsr_hip_profiling.F90 /usr/bin/env python3 /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/mm/dbcsr_mm_types.F dbcsr_mm_types.F90 nvcc -c -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__parallel -D__SCALAPACK -D__ELPA -D__FFTW3 -D__LIBXSMM -D__LIBXC -D__LIBINT -D__MAX_CONTR=4 -DNDEBUG -D__GRID_CUDA -g -O3 -Xcompiler='-fopenmp' --std=c++11 -D__CUDA -arch sm_60 -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src' /project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/cuda/dbcsr_cuda_nvtx_cu.cpp make[4]: nvcc: Command not found make[4]: *** [/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/build_dbcsr//Makefile:280: dbcsr_cuda_nvtx_cu.o] Error 127 make[4]: *** Waiting for unfinished jobs.... ftn -c -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__parallel -D__SCALAPACK -D__ELPA -D__FFTW3 -D__LIBXSMM -D__LIBXC -D__LIBINT -D__MAX_CONTR=4 -DNDEBUG -D__GRID_CUDA -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/modules -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/elpa -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxsmm/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxc/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libint/include -g1 -fopenmp -fopenmp-simd -O3 -funroll-loops -ffree-form -ffree-line-length-512 -D__CUDA -D__SHORT_FILE__="\"dbcsr_mm_types.F\"" -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/mm/' -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src' dbcsr_mm_types.F90 ftn -c -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__parallel -D__SCALAPACK -D__ELPA -D__FFTW3 -D__LIBXSMM -D__LIBXC -D__LIBINT -D__MAX_CONTR=4 -DNDEBUG -D__GRID_CUDA -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/modules -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/elpa -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxsmm/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxc/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libint/include -g1 -fopenmp -fopenmp-simd -O3 -funroll-loops -ffree-form -ffree-line-length-512 -D__CUDA -D__SHORT_FILE__="\"dbcsr_hip_profiling.F\"" -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/acc/hip/' -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src' dbcsr_hip_profiling.F90 ftn -c -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__parallel -D__SCALAPACK -D__ELPA -D__FFTW3 -D__LIBXSMM -D__LIBXC -D__LIBINT -D__MAX_CONTR=4 -DNDEBUG -D__GRID_CUDA -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/modules -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/elpa -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxsmm/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxc/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libint/include -g1 -fopenmp -fopenmp-simd -O3 -funroll-loops -ffree-form -ffree-line-length-512 -D__CUDA -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/base/' -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src' dbcsr_kinds.F90 ftn -c -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__parallel -D__SCALAPACK -D__ELPA -D__FFTW3 -D__LIBXSMM -D__LIBXC -D__LIBINT -D__MAX_CONTR=4 -DNDEBUG -D__GRID_CUDA -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/modules -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/elpa/include/elpa_openmp-2020.11.001/elpa -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxsmm/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libxc/include -I/store/uzh/uzh1/CP2K_ENVIRONMENT/DAINT/libs/PrgEnv-gnu/6.0.8_daint-gpu/libint/include -g1 -fopenmp -fopenmp-simd -O3 -funroll-loops -ffree-form -ffree-line-length-512 -D__CUDA -D__SHORT_FILE__="\"dbcsr_btree.F\"" -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src/utils/' -I'/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/dbcsr/src' dbcsr_btree.F90 make[3]: *** [/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/build_dbcsr/Makefile:179: libdbcsr] Error 2 make[2]: *** [/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/exts/Makefile.inc:38: dbcsr] Error 2 make[2]: *** Waiting for unfinished jobs.... make[1]: *** [/project/d110/alazzaro/CP2K_AUTO_REGTEST/DAINT/CRAY_XC50-gfortran_gpu/psmp/cp2k/Makefile:140: psmp] Error 2 make: *** [Makefile:135: all] Error 2 xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx ERROR: make -j 24 ARCH=CRAY_XC50-gfortran_gpu VERSION=psmp failed Summary: Compilation failed. Status: FAILED Compilation failed. (STOP)