<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"> <head> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"> <meta name="Generator" content="Microsoft Word 15 (filtered medium)"> <style></style> </head> <body lang="DE" link="blue" vlink="purple" style="word-wrap:break-word"> <div class="WordSection1"> <p class="MsoNormal"><span style="mso-fareast-language:EN-US">Hello Sam<o:p></o:p></span></p> <p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">It is difficult to guess what’s wrong from the info you provided.<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">In case you have a standard GNU/Linux system, you can try to install the current CP2K trunk version running<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p> <ul style="margin-top:0cm" type="disc"> <li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span style="font-size:10.0pt;font-family:Consolas;mso-fareast-language:EN-US">git clone --recursive https://github.com/cp2k/cp2k.git cp2k<o:p></o:p></span></li><li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span style="font-size:10.0pt;font-family:Consolas;mso-fareast-language:EN-US">cd cp2k<o:p></o:p></span></li><li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span style="font-size:10.0pt;font-family:Consolas;mso-fareast-language:EN-US">source arch/Linux-gnu-x86_64.psmp<o:p></o:p></span></li><li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;mso-fareast-language:EN-US">make -j ARCH=Linux-gnu-x86_64 VERSION=psmp<o:p></o:p></span></li></ul> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Did you try that already?<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Matthias<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p> <div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="margin-left:35.4pt"><b>Von:</b> cp2k@googlegroups.com <cp2k@googlegroups.com> <b>Im Auftrag von </b>Sam Broderick<br> <b>Gesendet:</b> Samstag, 29. Januar 2022 15:14<br> <b>An:</b> cp2k <cp2k@googlegroups.com><br> <b>Betreff:</b> Re: [CP2K:16527] Difficulties with Install & existing libraries<o:p></o:p></p> </div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> <div> <p class="MsoNormal" style="margin-left:35.4pt">My saga with installation continued. I got a weird interaction between -llapack and -lscalapack.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt">If I'm not mistaken, at least some other codes handle scalapack as optional per a direction in the input code.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt">Apparently, it causes issues for cp2k and I got errors complaining about:<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt"><span style="font-family:"Times New Roman",serif">undefined reference to `std::ios_base::Init::Init()'</span><o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt">starting with `_GLOBAL__sub_I_libint2_build_default' and 3891 more.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt">If I remove -llapack, it goes away. Any thoughts or comments?<o:p></o:p></p> </div> <div> <div> <p class="MsoNormal" style="margin-left:35.4pt">On Friday, January 28, 2022 at 2:15:53 PM UTC+1 Sam Broderick wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <p class="MsoNormal" style="margin-left:35.4pt">Thanks! That did the trick!<o:p></o:p></p> <div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt">I had used --enable-fortran per the command line help, but it apparently was ignored.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:35.4pt">Rgds<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:35.4pt"> Sam<o:p></o:p></p> </div> <div> <div> <p class="MsoNormal" style="margin-left:35.4pt">On Thursday, January 27, 2022 at 5:34:14 PM UTC+1 Matthias Krack wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D">Hi </span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D"> </span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D">The libint installer sometimes fails to build the Fortran interface, i.e. the module file libint_f.mod. The installer (makefile) uses the CXX instead of the Fortran linker to generate the module file which does not work in all cases. Change to the libint-2.6.0 build folder and run “make fortran” there. This should generate a libint_f.mod file in the subfolder libint-2.6.0/fortran which is installed (copied) after “make install”.</span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D"> </span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D">I don’t see any --D__SCALAPACK flag in your arch file which is required for parallel builds (-D__parallel) using MPI.</span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D"> </span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D">HTH</span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D"> </span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D">Matthias</span><span lang="EN-US"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US" style="color:#1F497D"> </span><span lang="EN-US"><o:p></o:p></span></p> </div> </div> <div> <div> <div style="border:none;border-left:solid blue 1.5pt;padding:0cm 0cm 0cm 4.0pt"> <div> <div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <b>Von:</b> <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a> <<a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>> <b>Im Auftrag von </b>Sam Broderick<br> <b>Gesendet:</b> Donnerstag, 27. Januar 2022 16:53<br> <b>An:</b> cp2k <<a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>><br> <b>Betreff:</b> [CP2K:16517] Difficulties with Install & existing libraries<span lang="EN-US"><o:p></o:p></span></p> </div> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">Good Evening!<o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">After much reading, searching (this list, too) and trial-and-error, I am still unable to install cp2k. While I am hardly an expert, I have had success in installing a variety of packages such as blas/fftw/gcc11.2/gsl/hdf/lapack/libint/libxc/netcdf/openmpi/pfft/scalapack.<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">The crux of the issue is convincing the CP2K v9.1 to link to external libraries. From the best I can tell, my arch file leaves make wanting to use source code, e.g.: <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">/home/sam/Downloads/cp2k/cp2k-9.1/src/libint_wrapper.F:31:8:<br> <br> 31 | USE libint_f, ONLY: &<br> | 1<br> Fatal Error: Cannot open module file ‘libint_f.mod’ for reading at (1): No such file or directory<br> compilation terminated.<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">I already have linint and libxc installed. My fairly short arch file (Linux-x86-64-mpifort.psmp) is below.<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">Does anyone see what I am doing wrong?<br> <br> Many thanks,<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">Sam Broderick<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> </div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">CC := mpicc<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">CXX := mpic++ -g<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">FC := mpifort<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LD := mpifort<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">AR := ar -r<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">DFLAGS := -D__NO_STATM_ACCESS -D__parallel -D__MPI_VERSION=3<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">DFLAGS += -D__LIBXC<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">DFLAGS += -D__LIBINT<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">DFLAGS += -D__FFTW3<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;margin-bottom:12.0pt;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBXC_INC := /opt/extlib/libxc/5.1.7/mpicc/4.1.1/gcc/11.2.0/include<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBINT_INC := /opt/extlib/libint/2.6.0/mpicc/4.1.1/gcc/11.2.0/include<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">FFTW_INC := /opt/extlib/fftw/3.3.10/mpicc/4.1.1/gcc/11.2.0/include<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">CFLAGS := -fopenmp<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">CFLAGS += -I$(LIBINT_INC)<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">CFLAGS += -I$(LIBXC_INC)<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">CFLAGS += -I$(FFTW_INC)<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;margin-bottom:12.0pt;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">FCFLAGS := -O2 -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS) $(CFLAGS)<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LDFLAGS := $(FCFLAGS)<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;margin-bottom:12.0pt;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBXC_LIB := /opt/extlib/libxc/5.1.7/mpicc/4.1.1/gcc/11.2.0/lib<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBINT_LIB := /opt/extlib/libint/2.6.0/mpicc/4.1.1/gcc/11.2.0/lib<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">FFTW_LIB := /opt/extlib/fftw/3.3.10/mpicc/4.1.1/gcc/11.2.0/lib<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">BLAS_LIB := /opt/extlib/blas/3.10.0/mpicc/4.1.1/gcc/11.2.0/lib<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">SCALAPACK_LIB := /opt/extlib/scalapack/2.1.0/mpicc/4.1.1/gcc/11.2.0/lib<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LAPACK_LIB := /opt/extlib/lapack/3.10.0/mpicc/4.1.1/gcc/11.2.0/lib<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US"> <o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS := -llapack -lblas -lscalapack -lfftw3 -lfftw3_omp -lmpi<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS += -Wl,-rpath=$(LIBXC_LIB) -L$(LIBXC_LIB) -lxcf03 -lxc<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS += -Wl,-rpath=$(LIBINT_LIB) -L$(LIBINT_LIB) -lint2<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS += -Wl,-rpath=$(FFTW_LIB) -L$(FFTW_LIB) -lfftw3_mpi -lfftw3_omp -lfftw3 <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS += -Wl,-rpath=$(SCALAPACK_LIB) -L$(SCALAPACK_LIB) -lscalapack<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS += -Wl,-rpath=$(LAPACK_LIB) -L$(LAPACK_LIB) -llapack<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">LIBS += -Wl,-rpath=$(BLAS_LIB) -L$(BLAS_LIB) -lblas<o:p></o:p></span></p> </div> </div> </div> </div> </div> </div> <div> <div> <div style="border:none;border-left:solid blue 1.5pt;padding:0cm 0cm 0cm 4.0pt"> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:35.4pt"> <span lang="EN-US">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+uns...@googlegroups.com">cp2k+uns...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/29efe32b-d4eb-40a0-9024-bb9dc45e4e60n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/29efe32b-d4eb-40a0-9024-bb9dc45e4e60n%40googlegroups.com</a>.<o:p></o:p></span></p> </div> </div> </div> </blockquote> </div> </blockquote> </div> <p class="MsoNormal" style="margin-left:35.4pt">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/b77db556-b193-47d0-9004-57d340cafa25n%40googlegroups.com?utm_medium=email&utm_source=footer"> https://groups.google.com/d/msgid/cp2k/b77db556-b193-47d0-9004-57d340cafa25n%40googlegroups.com</a>.<o:p></o:p></p> </div> </body> </html> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/caf53a2f162d4b399cb7fb4062e3cd6f%40psi.ch?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/caf53a2f162d4b399cb7fb4062e3cd6f%40psi.ch</a>.<br />