[CP2K-user] [CP2K:18665] Error in compiling Cp2k with PLUMED

Rajorshi Chattopadhyay rajorshichat at gmail.com
Fri Apr 14 17:22:04 UTC 2023


Hello all,

I am trying to compile CP2k-9.1 with PLUMED 2.8.2. I could install PLUMED
separately, but when I try to compile CP2k with PLUMED, I get the following
error:


/usr/bin/ld:
/home/rajorshi/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib/libxsmm.a(libxsmm_malloc.o):
in function `libxsmm_xget_scratch_allocator':

libxsmm_malloc.c:(.text.libxsmm_xget_scratch_allocator+0x111): undefined
reference to `pthread_yield'

/usr/bin/ld:
/home/rajorshi/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib/libxsmm.a(libxsmm_malloc.o):
in function `libxsmm_xrelease_scratch':

libxsmm_malloc.c:(.text.libxsmm_xrelease_scratch+0x101): undefined
reference to `pthread_yield'

/usr/bin/ld:
/home/rajorshi/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib/libxsmm.a(libxsmm_main.o):libxsmm_main.c:(.text.libxsmm_finalize+0xf1):
more undefined references to `pthread_yield' follow

collect2: error: ld returned 1 exit status

make[3]: *** [/home/rajorshi/cp2k-9.1/obj/local/ssmp/all.dep:150:
/home/rajorshi/cp2k-9.1/exe/local/grid_unittest.ssmp] Error 1

make[2]: *** [/home/rajorshi/cp2k-9.1/Makefile:158: all] Error 2

make[1]: *** [/home/rajorshi/cp2k-9.1/Makefile:140: ssmp] Error 2

make[1]: *** Waiting for unfinished jobs....

make[2]: *** [/home/rajorshi/cp2k-9.1/Makefile:158: all] Error 2

make[1]: *** [/home/rajorshi/cp2k-9.1/Makefile:140: sdbg] Error 2

make: *** [Makefile:135: all] Error 2

I find that the libxsmm library was installed successfully in the previous
step.
I have attached the entire output of make and the arch file for reference.
-- 
With Regards,
Rajorshi Chattopadhyay,
PhD Researcher in Mineralogy/Crystallography,
Institut für Geologie und Mineralogie,
Universität zu Köln, Germany

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