[CP2K-user] [CP2K:18237] Re: Compiling error: libxsmm

Trevor Voss tvoss15 at gmail.com
Tue Dec 20 21:33:07 UTC 2022
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I managed to fix this by adding the flags "lxsmmext -lxsmmgen" to LIBS in 
my arch file. 

On Tuesday, December 20, 2022 at 12:45:23 PM UTC-6 Trevor Voss wrote:

> Hello everyone, 
>
> First thing to note is that I am a total noob at all of this. This is my 
> first time using Linux (luckily I have an expert to help me).
>
> I am working to build CP2K on Ubuntu 22.04.1 LTS with an AMD Threadripper 
> 3970x and NVIDIA 3090Ti using MPI support with openmp. 
>
> I have been working to compile and am stuck on this error. Any help would 
> be greatly appreciated. 
>
> Here is just the error...
>
> /usr/bin/ld: /home/tvoss/libxsmm/lib/libxsmmf.a(libxsmm-mod.o): in 
> function `__libxsmm_MOD_libxsmm_gemm_batch_omp':
> libxsmm.f:(.text.__libxsmm_MOD_libxsmm_gemm_batch_omp+0x1): undefined 
> reference to `libxsmm_gemm_batch_omp_'
>
> Here is the full text...
>
> Discovering programs ...
> make -C /home/tvoss/cp2k/exts/dbcsr -f 
> /home/tvoss/cp2k/exts/build_dbcsr/Makefile \
>    ARCHFILE=/home/tvoss/cp2k/arch/minimal.sdbg \
>    LIBDIR=/home/tvoss/cp2k/lib/minimal/sdbg/exts/dbcsr \
>    OBJDIR=/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr \
>    USE_ACCEL="" \
>    ACC="" \
>    ACCFLAGS=""
> Removing stale archives for sdbg ... 
> Removing stale archives ... 
> Resolving dependencies ... 
> Resolving dependencies for sdbg ... 
> echo git:a213519 > "/home/tvoss/cp2k/obj/git-ref.tmp"
> gfortran -fopenmp  -L/home/tvoss/cp2k/lib/minimal/sdbg -o 
> /home/tvoss/cp2k/exe/minimal/dbt_tas_unittest.sdbg dbt_tas_unittest.o 
>  -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase 
> -L/home/tvoss/cp2k/lib/minimal/sdbg/exts/dbcsr -ldbcsr -lopenblas 
>  -L/home/tvoss/libint-v2.6.0-cp2k-lmax-7/lib/.libs -lint2 -lstdc++ 
> -L/home/tvoss/libxsmm/lib -lxsmmf -lxsmm -ldl -lblas 
> -L/usr/local/cuda/lib64 -lstdc++ -lcudart -lnvrtc -lcuda -lcublas 
> -L/opt/etsf/lib -lxcf03 -lxc
> gfortran -fopenmp  -L/home/tvoss/cp2k/lib/minimal/sdbg -o 
> /home/tvoss/cp2k/exe/minimal/dbt_unittest.sdbg dbt_unittest.o  -lcp2kdbt 
> -lcp2ktas -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase 
> -L/home/tvoss/cp2k/lib/minimal/sdbg/exts/dbcsr -ldbcsr -lopenblas 
>  -L/home/tvoss/libint-v2.6.0-cp2k-lmax-7/lib/.libs -lint2 -lstdc++ 
> -L/home/tvoss/libxsmm/lib -lxsmmf -lxsmm -ldl -lblas 
> -L/usr/local/cuda/lib64 -lstdc++ -lcudart -lnvrtc -lcuda -lcublas 
> -L/opt/etsf/lib -lxcf03 -lxc
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/fist_pol_scf.F fist_pol_scf.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/semi_empirical_parameters.F 
> semi_empirical_parameters.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/semi_empirical_mpole_methods.F 
> semi_empirical_mpole_methods.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/input_cp2k_loc.F input_cp2k_loc.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/cp_ddapc_types.F cp_ddapc_types.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/xc/xc_atom.F xc_atom.F90
> /home/tvoss/cp2k/tools/build_utils/fypp -n 
> /home/tvoss/cp2k/src/ewald_methods_tb.F ewald_methods_tb.F90
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/home/tvoss/cp2k/src/' 
> -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' fist_pol_scf.F90 
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" 
> -I'/home/tvoss/cp2k/src/' -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' 
> semi_empirical_mpole_methods.F90 
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/home/tvoss/cp2k/src/' 
> -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' input_cp2k_loc.F90 
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/home/tvoss/cp2k/src/' 
> -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' cp_ddapc_types.F90 
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/home/tvoss/cp2k/src/' 
> -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' ewald_methods_tb.F90 
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/home/tvoss/cp2k/src/' 
> -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' 
> semi_empirical_int_utils.F90 
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/home/tvoss/cp2k/src/xc/' 
> -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' xc_atom.F90 
> /usr/bin/ld: /home/tvoss/libxsmm/lib/libxsmmf.a(libxsmm-mod.o): in 
> function `__libxsmm_MOD_libxsmm_gemm_batch_omp':
> libxsmm.f:(.text.__libxsmm_MOD_libxsmm_gemm_batch_omp+0x1): undefined 
> reference to `libxsmm_gemm_batch_omp_'
> gfortran -g -c -fopenmp -ffree-form 
>  -I/home/tvoss/libint-v2.6.0-cp2k-lmax-7/include 
> -I/home/tvoss/libxsmm/include -D__LIBXSMM -I/opt/etsf/include 
> -D__COMPILE_ARCH="\"minimal\"" -D__COMPILE_DATE="\"Tue Dec 20 12:39:35 PM 
> CST 2022\"" -D__COMPILE_HOST="\"tvoss-TRX40-AORUS-XTREME\"" 
> -D__COMPILE_REVISION="\"git:a213519\"" 
> -D__DATA_DIR="\"/home/tvoss/cp2k/data\"" 
> -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" 
> -I'/home/tvoss/cp2k/src/' -I'/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr' 
> semi_empirical_parameters.F90 
> collect2: error: ld returned 1 exit status
> make[3]: *** [/home/tvoss/cp2k/obj/minimal/sdbg/all.dep:170: 
> /home/tvoss/cp2k/exe/minimal/dbt_tas_unittest.sdbg] Error 1
> make[3]: *** Waiting for unfinished jobs....
> /usr/bin/ld: /home/tvoss/libxsmm/lib/libxsmmf.a(libxsmm-mod.o): in 
> function `__libxsmm_MOD_libxsmm_gemm_batch_omp':
> libxsmm.f:(.text.__libxsmm_MOD_libxsmm_gemm_batch_omp+0x1): undefined 
> reference to `libxsmm_gemm_batch_omp_'
> collect2: error: ld returned 1 exit status
> make[3]: *** [/home/tvoss/cp2k/obj/minimal/sdbg/all.dep:166: 
> /home/tvoss/cp2k/exe/minimal/dbt_unittest.sdbg] Error 1
> make[2]: *** [/home/tvoss/cp2k/Makefile:143: all] Error 2
> make[1]: *** [/home/tvoss/cp2k/Makefile:125: sdbg] Error 2
> make: *** [Makefile:120: all] Error 2
>

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