Dependency installation using install_cp2k_toolchain.sh

[Ole Schütt]

Dear Suman,

I don't this is a problem with libxc. It looks more like you enabled the 
flag for libsmm (maybe in an earlier version of the arch file) and the did 
not link it in.
There are prebuild versions of libsmm available here: 
http://www.cp2k.org/static/downloads/libsmm/

-Ole

Am Mittwoch, 2. September 2015 12:41:26 UTC+2 schrieb Suman Chakrabarty:
>
> Hello,
>
> I am trying to install the dependencies of CP2K using the 
> supplied tools/toolchain/install_cp2k_toolchain.sh script. Even though the 
> script exits successfully, while compiling CP2K I realized that libxc has 
> not compiled successfully.
>
> For cp2k-2.6.1: libxcver=2.0.1
> The build/libxc-2.0.1/make.log file contains these warnings/errors:
> ===========================================================
> /bin/bash ../libtool  --tag=CC --tag=F77  --mode=compile gcc 
> -DHAVE_CONFIG_H -I. -I..     -O2 -ftree-vectorize -g 
> -fno-omit-frame-pointer -march=native -ffast-math -MT libxc_la-version.lo 
> -MD -MP -MF .deps/libxc_la-version.Tpo -c -o libxc_la-version.lo `test -f 
> 'version.c' || echo './'`version.c
> libtool: ignoring unknown tag F77
>
> <---snip--->
>
> libtool: compile:  gfortran -O2 -ftree-vectorize -g 
> -fno-omit-frame-pointer -march=native -ffast-math -c libxc.f90 -o 
> libxc_la-libxc.o
> /usr/include/stdc-predef.h:1.1:
>     Included at ./libxc_master.F90:1:
>
> /* Copyright (C) 1991-2014 Free Software Foundation, Inc.
>  1
> Error: Invalid character in name at (1)
> /usr/include/stdc-predef.h:2.3:
>     Included at ./libxc_master.F90:1:
> =================================================================
>
> For the latest svn version: libxc_ver=2.2.2
> libxc compilation completes successfully.
>
> But CP2K compilation gives following error:
>
> mpif90 -L/home/suman/sources/CP2K/cp2k/cp2k/tools/toolchain/install/lib 
> -march=native -fno-omit-frame-pointer -g  -O3 -ffast-math   
> -I/home/suman/sources/CP2K/cp2k/cp2k/tools/toolchain/install/include 
> -std=f2003 -fimplicit-none -ffree-form  -D__parallel -D__MPI_VERSION=3 
> -D__SCALAPACK -D__LIBXC2 -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 
> -D__FFTW3 
> -I/home/suman/sources/CP2K/cp2k/cp2k/tools/toolchain/install/include/elpa-2015.05.001/modules 
> -D__ELPA2 -D__LIBPEXSI -D__QUIP  -D__COMPILE_ARCH="\"local\"" 
> -D__COMPILE_DATE="\"Wed Sep  2 16:03:15 IST 2015\"" 
> -D__COMPILE_HOST="\"mercury\"" -D__COMPILE_REVISION="\"svn:15799\"" 
> -D__DATA_DIR="\"/home/suman/sources/CP2K/cp2k/cp2k/data\"" 
> -L/home/suman/sources/CP2K/cp2k/cp2k/lib/local/popt -o 
> /home/suman/sources/CP2K/cp2k/cp2k/exe/local/dbcsr_performance_driver.popt 
> dbcsr_performance_driver.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm 
> -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr 
> -lcp2kmpiwrap -lcp2kbase -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic 
> -lcp2kaccopencl -lquip_core -latoms -lFoX_sax -lFoX_common -lFoX_utils 
> -lFoX_fsys -lpexsi_linux_v0.8.0 -lsuperlu_dist_3.3 -lptscotchparmetis 
> -lptscotch -lptscotcherr -lscotchmetis -lscotch -lscotcherr -lelpa -lfftw3 
>  -lderiv -lint -lxcf90 -lxc -lscalapack -lopenblas_serial  -lstdc++  
> /home/suman/sources/CP2K/cp2k/cp2k/lib/local/popt/libdbcsrmm.a(dbcsr_mm_hostdrv.o): 
> In function `smm_process_mm_stack_d':
> /home/suman/sources/CP2K/cp2k/cp2k/src/dbcsr/mm/dbcsr_mm_hostdrv_d.f90:135: 
> undefined reference to `smm_dnn_'
>
> Can anybody please suggest how to troubleshoot this? I am trying to 
> compile only popt and psmp versions.
>
> Thanks,
> Suman.
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150904/1662f574/attachment.htm>