[CP2K-user] [CP2K:16947] CP2K installation

Havva Mehralitabar hmehralitabar at gmail.com
Wed May 11 08:19:25 UTC 2022


hello every one,
I am trying to install CP2K for qm/mm caculation with gromacs, 
after Cp2k installation I wanted to make libcp2k with 
the following command:
make -j 20 ARCH=local VERSION=psmp libcp2k
but I get the foolowing error:
Discovering programs ...
make -C /home/ghasemi/software/cp2k-9.1/exts/dbcsr -f 
/home/ghasemi/software/cp2k-9.1/exts/build_dbcsr/Makefile \
   ARCHFILE=/home/ghasemi/software/cp2k-9.1/arch/local.psmp \
   LIBDIR=/home/ghasemi/software/cp2k-9.1/lib/local/psmp/exts/dbcsr \
   OBJDIR=/home/ghasemi/software/cp2k-9.1/obj/local/psmp/exts/dbcsr \
   USE_ACCEL="" \
   ACC="" \
   ACCFLAGS=""
Writing pkg-config 
/home/ghasemi/software/cp2k-9.1/lib/local/psmp/pkgconfig/libcp2k.pc
Removing stale archives for psmp ... 
/bin/sh: 1: Syntax error: "(" unexpected
make[2]: *** [/home/ghasemi/software/cp2k-9.1/Makefile:200: pkgconfig] 
Error 2
make[2]: *** Waiting for unfinished jobs....
Removing stale archives ... 
Resolving dependencies ... 
Resolving dependencies for psmp ...
make[1]: *** [/home/ghasemi/software/cp2k-9.1/Makefile:140: psmp] Error 2
make: *** [Makefile:135: libcp2k] Error 2
it would be greatly appreciated if someone could give any  solution to fix 
it
thank you in advance

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