Dear Mathi,
Can you also share the easyconfig file you're using here?
CP2K-6.1-foss-2019.eb is not included in EasyBuild yet, so did you
construct this yourself?
The problem here may be the version of Libint you are using, I think
CP2K 6.1 still requires Libint 1.x
regards,
Kenneth
On 28/06/2020 18:29, ezhilmathi krishnasamy wrote:
Hi again,
This is my log file:
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'init_libderiv_base'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'libderiv1_storage_required'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'init_libderiv1'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'init_libint_base'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'libint_storage_required'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'init_libint'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_terminate_libderiv: error: undefined reference
to 'free_libderiv'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_terminate_libint: error: undefined reference to
'free_libint' collect2: error: ld returned 1 exit status make[3]: ***
[/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/exe/Linux-x86-64-foss/cp2k.popt]
Error 1 make[3]: *** Waiting for unfinished jobs....
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'init_libderiv_base'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'libderiv1_storage_required'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'init_libderiv1'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'init_libint_base'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'libint_storage_required'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'init_libint'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_terminate_libderiv: error: undefined reference
to 'free_libderiv'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_terminate_libint: error: undefined reference to
'free_libint' collect2: error: ld returned 1 exit status
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'init_libderiv_base'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'libderiv1_storage_required'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libderiv: error: undefined reference
to 'init_libderiv1'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'init_libint_base'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'libint_storage_required'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_initialize_libint: error: undefined reference
to 'init_libint'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_terminate_libderiv: error: undefined reference
to 'free_libderiv'
/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/lib/Linux-x86-64-foss/popt/libcp2kmain.a(hfx_libint_wrapper.o):hfx_libint_wrapper.F90:function
__hfx_libint_wrapper_MOD_terminate_libint: error: undefined reference to
'free_libint' collect2: error: ld returned 1 exit status make[3]: ***
[/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/exe/Linux-x86-64-foss/cp2k_shell.popt]
Error 1 make[3]: ***
[/dev/shm/CP2K/6.1/foss-2019b/cp2k-6.1/exe/Linux-x86-64-foss/libcp2k_unittest.popt]
Error 1 make[2]: *** [all] Error 2 make[1]: *** [popt] Error 2 make: ***
[all] Error 2
Thanks!
Kind regards,
Mathi
On 2020-06-28 17:44, ezhilmathi krishnasamy wrote:
Hi,
I am having some build error in CP2K-6.1-foss-2019b.eb.
Here is the error message:
== building... == FAILED: Installation ended unsuccessfully (build
directory: /dev/shm/CP2K/6.1/foss-2019b): build failed (first 300
chars): cmd "make MAKE="make -j 16" ARCH=Linux-x86-64-foss
VERSION=popt all" exited with exit code 2 and output: Discovering
programs ... make[2]: warning: -jN forced in submake: disabling
jobserver mode. Removing stale archives for popt ... Resolving
dependencies for popt ... make[3]: warning: -jN for (took 2 min 52
sec) == Results of the build can be found in the log file(s)
/mnt/irisgpfs/users/ekrishnasamy/git/gitlab.uni.lu/ULHPC/sw/logs/easybuild/easybuild-CP2K-6.1-20200628.002757.LkpEF.log
ERROR: Build of
/mnt/irisgpfs/users/ekrishnasamy/git/gitlab.uni.lu/ULHPC/sw/easyconfigs/c/CP2K/CP2K-6.1-foss-2019b.eb
failed (err: 'build failed (first 300 chars): cmd "make MAKE="make -j
16" ARCH=Linux-x86-64-foss VERSION=popt all" exited with exit code 2
and output:\nDiscovering programs ...\nmake[2]: warning: -jN forced in
submake: disabling jobserver mode.\nRemoving stale archives for popt
... \nResolving dependencies for popt ... \nmake[3]: warning: -jN for')
Could you please help me with some tips ?
Thanks!
Kind regards,
Mathi
