<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Unfortunately the toolchain does not work on my system, even though I had it build and install everything including gcc. <div class="">For example:</div><div class="">source /home/rcohen/CP2K/cp2k/tools/toolchain/install/setup</div><div class="">make ARCH=local VERSION=ssmp</div><div class=""><div class="">iscovering programs ...</div><div class="">Removing stale archives for ssmp ... </div><div class="">Resolving dependencies for ssmp ... </div><div class="">make -C /home/rcohen/CP2K/cp2k/exts/dbcsr \</div><div class=""> INCLUDEMAKE=/home/rcohen/CP2K/cp2k/arch/local.ssmp \</div><div class=""> LIBDIR=/home/rcohen/CP2K/cp2k/lib/local/ssmp/exts/dbcsr \</div><div class=""> OBJDIR=/home/rcohen/CP2K/cp2k/obj/local/ssmp/exts/dbcsr \</div><div class=""> FYPPEXE=/home/rcohen/CP2K/cp2k/tools/build_utils/fypp</div><div class="">Removing stale archives ... </div><div class="">Resolving dependencies ... </div><div class="">/home/rcohen/CP2K/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /home/rcohen/CP2K/cp2k/src/qs_outer_scf.F qs_outer_scf.F90</div><div class="">/home/rcohen/CP2K/cp2k/tools/toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -fopenmp -m64 -I/mnt/beegfs/intel/compilers_and_libraries_2018.5.274/linux/mkl/include -I/mnt/beegfs/intel/compilers_and_libraries_2018.5.274/linux/mkl/include/fftw -I'/home/rcohen/CP2K/cp2k/tools/toolchain/install/fftw-3.3.7/include' -I'/home/rcohen/CP2K/cp2k/tools/toolchain/install/libint-1.1.6/include' -I'/home/rcohen/CP2K/cp2k/tools/toolchain/install/libxc-4.0.3/include' -I'/home/rcohen/CP2K/cp2k/tools/toolchain/install/libxsmm-1.10.0/include' -I'/home/rcohen/CP2K/cp2k/tools/toolchain/install/gsl-2.5/include' -I/home/rcohen/CP2K/cp2k/tools/toolchain/install/spglib-1.10.4/include -I/home/rcohen/CP2K/cp2k/tools/toolchain/install/hdf5-1.10.4/include -I'/home/rcohen/CP2K/cp2k/tools/toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Jan 9 08:37:47 CET 2019\"" -D__COMPILE_HOST="\"tomcat3\"" -D__COMPILE_REVISION="\"git:89b110c40\"" -D__DATA_DIR="\"/home/rcohen/CP2K/cp2k/data\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/home/rcohen/CP2K/cp2k/src/' -I'/home/rcohen/CP2K/cp2k/obj/local/ssmp/exts/dbcsr' qs_outer_scf.F90 </div><div class="">/home/rcohen/CP2K/cp2k/src/qs_outer_scf.F:27:7:</div><div class=""><br class=""></div><div class=""> USE qs_basis_gradient, ONLY: qs_basis_center_gradient,&</div><div class=""> 1</div><div class="">Fatal Error: Can't open module file \u2018qs_basis_gradient.mod\u2019 for reading at (1): No such file or directory</div><div class="">compilation terminated.</div><div class="">/home/rcohen/CP2K/cp2k/Makefile:447: recipe for target 'qs_outer_scf.o' failed</div><div class="">make[3]: *** [qs_outer_scf.o] Error 1</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><div class="">find . -name qs_basis_gradient.mod</div><div class="">./obj/Linux-x86-64-intelx/psmp/qs_basis_gradient.mod</div><div class="">./obj/Linux-x86-64-intelx/popt/qs_basis_gradient.mod</div><div class="">./obj/local/sdbg/qs_basis_gradient.mod</div><div class="">./obj/local/sopt/qs_basis_gradient.mod</div></div><div class=""><br class=""></div><div class="">It doesn’t even try to build qs_basis_gradient.mod for the parallel versions.</div><div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""></div><div class=""> <div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">---<br class="">Ron Cohen<br class=""><a href="mailto:reco...@gmail.com" class="">reco...@gmail.com</a><br class="">skypename: ronaldcohen</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; 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