I managed to fix this by adding the flags "lxsmmext -lxsmmgen" to LIBS in my arch file. <br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, December 20, 2022 at 12:45:23 PM UTC-6 Trevor Voss wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div>Hello everyone, <br></div><div><br></div><div>
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).<br><br>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. <br></div><div><br></div><div>I have been working to compile and am stuck on this error. Any help would be greatly appreciated. <br></div><div><br></div><div>Here is just the error...<br></div><div><br></div><div>/usr/bin/ld: /home/tvoss/libxsmm/lib/libxsmmf.a(libxsmm-mod.o): in function `__libxsmm_MOD_libxsmm_gemm_batch_omp':<br>libxsmm.f:(.text.__libxsmm_MOD_libxsmm_gemm_batch_omp+0x1): undefined reference to `libxsmm_gemm_batch_omp_'</div><div><br></div><div>Here is the full text...<br></div><div><br>Discovering programs ...<br>make -C /home/tvoss/cp2k/exts/dbcsr -f /home/tvoss/cp2k/exts/build_dbcsr/Makefile \<br> ARCHFILE=/home/tvoss/cp2k/arch/minimal.sdbg \<br> LIBDIR=/home/tvoss/cp2k/lib/minimal/sdbg/exts/dbcsr \<br> OBJDIR=/home/tvoss/cp2k/obj/minimal/sdbg/exts/dbcsr \<br> USE_ACCEL="" \<br> ACC="" \<br> ACCFLAGS=""<br>Removing stale archives for sdbg ... <br>Removing stale archives ... <br>Resolving dependencies ... <br>Resolving dependencies for sdbg ... <br>echo git:a213519 > "/home/tvoss/cp2k/obj/git-ref.tmp"<br>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<br>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<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/fist_pol_scf.F fist_pol_scf.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/semi_empirical_parameters.F semi_empirical_parameters.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/input_cp2k_loc.F input_cp2k_loc.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/cp_ddapc_types.F cp_ddapc_types.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/xc/xc_atom.F xc_atom.F90<br>/home/tvoss/cp2k/tools/build_utils/fypp -n /home/tvoss/cp2k/src/ewald_methods_tb.F ewald_methods_tb.F90<br>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 <br>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 <br>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 <br>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 <br>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 <br>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 <br>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 <br>/usr/bin/ld: /home/tvoss/libxsmm/lib/libxsmmf.a(libxsmm-mod.o): in function `__libxsmm_MOD_libxsmm_gemm_batch_omp':<br>libxsmm.f:(.text.__libxsmm_MOD_libxsmm_gemm_batch_omp+0x1): undefined reference to `libxsmm_gemm_batch_omp_'<br>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 <br>collect2: error: ld returned 1 exit status<br>make[3]: *** [/home/tvoss/cp2k/obj/minimal/sdbg/all.dep:170: /home/tvoss/cp2k/exe/minimal/dbt_tas_unittest.sdbg] Error 1<br>make[3]: *** Waiting for unfinished jobs....<br>/usr/bin/ld: /home/tvoss/libxsmm/lib/libxsmmf.a(libxsmm-mod.o): in function `__libxsmm_MOD_libxsmm_gemm_batch_omp':<br>libxsmm.f:(.text.__libxsmm_MOD_libxsmm_gemm_batch_omp+0x1): undefined reference to `libxsmm_gemm_batch_omp_'<br>collect2: error: ld returned 1 exit status<br>make[3]: *** [/home/tvoss/cp2k/obj/minimal/sdbg/all.dep:166: /home/tvoss/cp2k/exe/minimal/dbt_unittest.sdbg] Error 1<br>make[2]: *** [/home/tvoss/cp2k/Makefile:143: all] Error 2<br>make[1]: *** [/home/tvoss/cp2k/Makefile:125: sdbg] Error 2<br>make: *** [Makefile:120: all] Error 2<br></div></blockquote></div>
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