[CP2K-user] [CP2K:18236] Compiling error: libxsmm

[Trevor Voss]

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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