<div dir="ltr">OK dear Alfio.<div> <div>The option that worked was this: </div><div>./install_cp2k_toolchain.sh -j 4 --with-libxsmm=install --with-openblas=no --with-fftw=system --with-reflapack=no --enable-cuda=no --enable-omp --with-libxsmm=no<div> </div><div>I was able to make it with </div><div>make -j 4 ARCH=local VERSION="popt"</div><div> </div><div>The output seems to me also successful</div><div> </div>jinca@eslogin004:/work/d167/d167/jinca/Dissertation/Downloads/cp2k/tests/QS/benchmark> aprun -n 16 ../../../exe/local/cp2k.popt ./H2O-64.inp Password: DBCSR| Multiplication driver BLAS DBCSR| Multrec recursion limit 512 DBCSR| Multiplication stack size 1000 DBCSR| Maximum elements for images UNLIMITED DBCSR| Multiplicative factor virtual images 1 DBCSR| Multiplication size stacks 3 DBCSR| Number of 3D layers SINGLE DBCSR| Use MPI memory allocation T DBCSR| Use RMA algorithm F DBCSR| Use Communication thread T DBCSR| Communication thread load 87 **** **** ****** ** PROGRAM STARTED AT 2019-05-28 11:44:11.228 ***** ** *** *** ** PROGRAM STARTED ON nid03357 ** **** ****** PROGRAM STARTED BY jinca ***** ** ** ** ** PROGRAM PROCESS ID 5726 **** ** ******* ** PROGRAM STARTED IN /fs4/d167/d167/jinca/Dissertation/Dow nloads/cp2k/tests/QS/benchmark CP2K| version string: CP2K version 6.1 CP2K| source code revision number: svn:18464 CP2K| cp2kflags: libint fftw3 libxc parallel mpi3 scalapack libderiv_max_am1=5 CP2K| libint_max_am=6 CP2K| is freely available from https://www.cp2k.org/ CP2K| Program compiled at Tue May 28 11:28:27 BST 2019 CP2K| Program compiled on eslogin004 CP2K| Program compiled for local CP2K| Data directory path /work/d167/d167/jinca/Dissertation/Downloads/cp2k/ CP2K| Input file name ./H2O-64.inp GLOBAL| Force Environment number 1 GLOBAL| Basis set file name GTH_BASIS_SETS GLOBAL| Potential file name POTENTIAL GLOBAL| MM Potential file name MM_POTENTIAL GLOBAL| Coordinate file name __STD_INPUT__ GLOBAL| Method name CP2K GLOBAL| Project name H2O-64 GLOBAL| Preferred FFT library FFTW3 GLOBAL| Preferred diagonalization lib. SL GLOBAL| Run type MD GLOBAL| All-to-all communication in single precision F GLOBAL| FFTs using library dependent lengths F GLOBAL| Global print level LOW GLOBAL| Total number of message passing processes 16 GLOBAL| Number of threads for this process 1 GLOBAL| This output is from process 0 GLOBAL| CPU model name : Intel(R) Xeon(R) CPU E5-2697 v2 @ 2.70GHz<div> </div><div>* For my PATH I refered for what is it shown in my basrc file. I am using first popt to use the MPI processes, I hope I also can make it the hybrid version with psmp :)</div><div> </div><div>My local.popt file is attached in this email. I think so far I have a problem with the share files because I noticed an message at the end of the make command.</div><div>ation/Downloads/cp2k/tools/toolchain/install/libxc-4.0.3/include' -ffree-form -std=f2003 -fimplicit-none -D__SCALAPACK -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue May 28 11:28:27 BST 2019\"" -D__COMPILE_HOST="\"eslogin004\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -Wl,--enable-new-dtags -L'/opt/cray/fftw/3.3.6.3/sandybridge/lib' -Wl,-rpath='/opt/cray/fftw/3.3.6.3/sandybridge/lib' -L'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/libint-1.1.6/lib' -Wl,-rpath='/work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/libint-1.1.6/lib' -L'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/libxc-4.0.3/lib' -Wl,-rpath='/work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/libxc-4.0.3/lib' -L/work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt -o /work/d167/d167/jinca/Dissertation/Downloads/cp2k/exe/local/libcp2k_unittest.popt libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -lxcf03 -lxc -lderiv -lint -lfftw3 -lz -ldl -lstdc++ /work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt/libcp2kmain.a(sockets.o): In function `open_socket': /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/sockets.c:82: warning: Using 'getaddrinfo' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking /work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt/libcp2kmain.a(sockets.o): In function `open_socket': /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/sockets.c:82: warning: Using 'getaddrinfo' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking jinca@eslogin004:/work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles> cd ../tests/QS/benchmark</div><div> </div><div>* Now I am going to try to do with the option you told me about swapping gcc to gcc/7.3.0.</div><div> </div><div>Thank you so much!</div><div> </div><div>Julita Inca El martes, 28 de mayo de 2019, 11:43:11 (UTC+1), Alfio Lazzaro escribió:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"> Il giorno martedì 28 maggio 2019 12:07:06 UTC+2, JULITA INCA CHIROQUE ha scritto:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Thank you so much dear Alfio for your suggestion.<div> </div><div>I have done so far this steps in my cray supercomputer:</div><div>- module swap PrgEnv-cray PrgEnv-gnu</div><div>- module load cray-fftw</div><div>- module load cray-libsci</div><div> </div><div>Questions:</div><div>1) Is it possible to run with just the gcc/7.3.0 and not with PrgEnv-gnu?. From [01] it is indicated that PgrEnv-gnu is needed to build MPICH. I wanted to run cp2k6.1 with gcc7.3.</div><div></div></div></blockquote><div> </div><div>The PrgEnv-* is a convenient way to load corresponding modules for that env. However, you can always swap to a different version of the compiler. For instance, I do:</div><div> </div><div>module swap gcc gcc/7.3.0</div><div> </div><div>You don't need to build MPICH, there is a cray-mpich module for you (which is optimized for Cray systems).</div><div> </div><div> </div><blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>2) When I clone cp2k6.1 and then I run the install_cp2k_toolchain.sh --install-all, the problems start with the packages binutils-2.30, openblas0.2.20 with the same error message: "Non-zero exit code detected."</div><div> The other modules can be a problem? When I log in into the cluster, there are around 27 modules already loaded like eswrap, cce, pmi, dmapp, xpmem, atp, bolt, cray-mpich, udreg, ugni, alps, rca, gni-headers, etc.</div></div></blockquote><div> </div><div> </div><div>Again, I don't think you have to use the toolchain on a Cray...</div><div>So, you can directly to the step of compiling CP2K (assuming that you have the right modules):</div><div> </div><div>make -j <N> ARCH=CRAY-XC30-gfortran VERSION=psmp</div> <div> </div><div>Let's if it works (please confirm), then we can move to some more specific installations of the packages.</div><div> </div><div> </div><blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>3) I decided to put: install_cp2k_toolchain.sh -j 4 --with-libxsmm=install --with-openblas=system --with-fftw=system --with-reflapack=no --enable-cuda=no --enable-omp=no</div><div> Can I set my path before building CP2K? By default PATH change what I am planning to do in my own environment. </div><div> </div></div></blockquote><div> </div><div>This is already the next step after 2). Sorry, PATH to what? Could you elaborate a bit more?</div><div>Does this command work? Please attach the output... I can assume that it will build some other packages (i.e. cmake) that probably you don't need... But first let's try option 2)...</div><div> </div><div> </div><blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div></div><div>Best regards,</div><div>Julita Inca </div><div> </div><div>[01] <a href="https://wiki.mpich.org/mpich/index.php/Cray" rel="nofollow" target="_blank" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwiki.mpich.org%2Fmpich%2Findex.php%2FCray\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGNd5_3YDUY4ZA0ULdWYxuKu8eIag';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwiki.mpich.org%2Fmpich%2Findex.php%2FCray\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGNd5_3YDUY4ZA0ULdWYxuKu8eIag';return true;">https://wiki.mpich.org/mpich/index.php/Cray</a></div><div> </div><div> El martes, 28 de mayo de 2019, 10:02:15 (UTC+1), Alfio Lazzaro escribió:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear Julita,</div><div>On a Cray system, you don't need to install GCC, FFTW, MPICH and SCALAPACK, they are already provided by Cray.</div><div>So, my first proposal is that you compile CP2K and use the internal arch file</div><div> </div><div><a href="https://github.com/cp2k/cp2k/blob/master/arch/CRAY-XC30-gfortran.psmp" rel="nofollow" target="_blank" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fcp2k%2Fblob%2Fmaster%2Farch%2FCRAY-XC30-gfortran.psmp\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEa0uauIvzJwa6mfLMacHo67VP5sg';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fcp2k%2Fblob%2Fmaster%2Farch%2FCRAY-XC30-gfortran.psmp\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEa0uauIvzJwa6mfLMacHo67VP5sg';return true;">https://github.com/cp2k/cp2k/blob/master/arch/CRAY-XC30-gfortran.psmp</a> </div><div> </div><div>Make sure you load the right modules, i.e.</div><div> </div><div>module swap PrgEnv-cray PrgEnv-gnu</div><div>module load fftw</div><div> </div><div>(SCALAPACK comes with cray-libsci)</div><div> </div><div>If it works, then the next step will be to install specific libraries, such as LIBINT, LIBXC, LIBXSMM... It depends which are relevant to you. Likely you have to install one by one by hand and link to CP2K...</div><div> </div><div>Alfio</div><div> </div> Il giorno sabato 25 maggio 2019 21:18:56 UTC+2, JULITA INCA CHIROQUE ha scritto:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr">Hello,</div><div dir="ltr"> </div><div dir="ltr">I was able to install cp2k6.1 with these options:</div><div dir="ltr"> </div><div dir="ltr"><code style="color:rgb(0,0,0)">./install_cp2k_toolchain.sh -j 72 --enable-cuda=no --with-scalapack --with-libxsmm=no --with-reflapack=no --with-libint=no --with-libxc=no --with-openblas=no</code></div><div dir="ltr"> </div><div dir="ltr">Then, I executed the commands:</div><div dir="ltr"><pre lang="shell" style="color:rgb(0,0,0)">cp /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/arch/* arch/ </pre><pre lang="shell" style="color:rgb(0,0,0)">source /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/setup </pre><pre lang="shell" style="color:rgb(0,0,0)">cd makefiles/</pre><pre lang="shell" style="color:rgb(0,0,0)">However, the installation look into another $HOME path, even though I set in source my cp2k path installation:</pre><div> jinca@eslogin005:/home2/y07/y07/cse/xalt/0.6.0/bin> source /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/setup jinca@eslogin005:/home2/y07/y07/cse/xalt/0.6.0/bin> cd /work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles/ jinca@eslogin005:/work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles> make -j 72 ARCH=local VERSION="popt" Discovering programs ... Removing stale archives for popt ... Resolving dependencies for popt ... /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/acc/acc_stream.F acc_stream.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/dbcsr/dist/dbcsr_min_heap.F dbcsr_min_heap.F90 Updating archive /work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt/libcp2kmpiwrap.a ar: creating /work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt/libcp2kmpiwrap.a /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/erf_fn.F erf_fn.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/spherical_harmonics.F spherical_harmonics.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/cp_iter_types.F cp_iter_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/list_callstackentry.F list_callstackentry.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/list_routinestat.F list_routinestat.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_min_heap.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/dbcsr/dist/' dbcsr_min_heap.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/dict.F dict.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"acc/acc_stream.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/acc/' acc_stream.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/cuda_profiling.F cuda_profiling.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/lebedev.F lebedev.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/mathlib.F mathlib.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/structure_factor_types.F structure_factor_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/cp_para_env.F cp_para_env.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/string_table.F string_table.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/parallel_rng_types.F parallel_rng_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/gamma.F gamma.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/powell.F powell.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/xml_parser.F xml_parser.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/splines.F splines.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/eigenvalueproblems.F eigenvalueproblems.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/whittaker.F whittaker.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/linear_systems.F linear_systems.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/periodic_table.F periodic_table.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/metadyn_tools/graph_utils.F graph_utils.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/erf_fn.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' erf_fn.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/cp_parser_status_types.F cp_parser_status_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' cp_iter_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/mixed_energy_types.F mixed_energy_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/shell_potential_types.F shell_potential_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' cuda_profiling.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/damping_dipole_types.F damping_dipole_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' spherical_harmonics.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/atprop_types.F atprop_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' mathlib.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' string_table.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/force_field_kind_types.F force_field_kind_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' structure_factor_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/pw_grid_types.F pw_grid_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' list_callstackentry.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' lebedev.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' cp_para_env.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' parallel_rng_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' gamma.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/fft/fftw3_lib.F fftw3_lib.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/dict.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' dict.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' powell.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/xml_parser.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' xml_parser.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' splines.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' eigenvalueproblems.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' whittaker.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/metadyn_tools/' graph_utils.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' linear_systems.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' periodic_table.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/' cp_parser_inpp_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/' shell_potential_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Warning: Unable to determine ld version. Default linker script will be used. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Error: Problem invoking pkg-config. Warning: Unable to determine ld version. Warning: Unable to determine ld version. Default linker script will be used. Default linker script will be used. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Warning: Unable to determine ld version. Default linker script will be used. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Error: Problem invoking pkg-config. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Warning: Unable to determine ld version. Default linker script will be used. Warning: Unable to determine ld version. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Default linker script will be used. Error: Problem invoking pkg-config. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 44: /xalt_helper_functions.sh: No such file or directory Error: Problem invoking pkg-config. /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 44: /xalt_helper_functions.sh: No such file or directory Failed to fork - Resource temporarily unavailable /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 48: request_tracing: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 48: request_tracing: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 55: find_real_command: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 55: find_real_command: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 60: find_working_python: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 60: find_working_python: command not found Warning: Unable to determine ld version. Default linker script will be used. Warning: Unable to determine ld version. Default linker script will be used. ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/' cp_parser_status_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -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=realloc-lhs-all -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__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/' mixed_energy_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loo</div></div></div></div></div></div></blockquote></div></blockquote></div></div></blockquote></div>...</blockquote></div></div></div></div>