[CP2K-user] [CP2K:18947] Compilation errors of CP2K on ubuntu

[Jibiao Li]

Hi, all

I am new to LINUX and CP2K. I tried to get the code using the command:
git clone -b support/v2023.1 --recursive https://github.com/cp2k/cp2k.git 
cp2k

then I tried to make the code using the command:
make -j 8 ARCH=Linux-intel-x86_64 VERSION=psmp

but errors appeared:

Resolving dependencies ... 
/usr/bin/env python3 
/home/jibiaoli/codes/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n 
/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F 
dbcsr_machine.F90
mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd 
-traceback -xHost 
-I/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/include 
-I/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxsmm-1.17/include 
-D__parallel -D__SCALAPACK -D__MKL -D__FFTW3 -D__LIBXSMM -D__MAX_CONTR=4 
-D__LIBXC -D__LIBXSMM -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include 
-I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include/fftw -diag-disable=8291 
-diag-disable=8293 -fpp -free -D__SHORT_FILE__="\"dbcsr_machine.F\"" 
-I'/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/' 
-I'/home/jibiaoli/codes/cp2k/exts/dbcsr/src' dbcsr_machine.F90 
/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(62): error 
#7002: Error in opening the compiled module file.  Check INCLUDE paths.   
[LIBXSMM]
      USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
----------^
/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(67): error 
#6406: Conflicting attributes or multiple declaration of name.   
[LIBXSMM_TIMER_DURATION]
      wt = libxsmm_timer_duration(0_int_8, libxsmm_timer_tick())
-----------^
/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(62): error 
#6580: Name in only-list does not exist or is not accessible.   
[LIBXSMM_TIMER_TICK]
      USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
-------------------------^
/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(62): error 
#6580: Name in only-list does not exist or is not accessible.   
[LIBXSMM_TIMER_DURATION]
      USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
---------------------------------------------^
compilation aborted for dbcsr_machine.F90 (code 1)
make[4]: *** [/home/jibiaoli/codes/cp2k/exts/build_dbcsr//Makefile:258: 
dbcsr_machine.o] Error 1
make[3]: *** [/home/jibiaoli/codes/cp2k/exts/build_dbcsr/Makefile:179: 
libdbcsr] Error 2
make[2]: *** [/home/jibiaoli/codes/cp2k/exts/Makefile.inc:38: dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
make[1]: *** [/home/jibiaoli/codes/cp2k/Makefile:128: psmp] Error 2
make: *** [Makefile:123: all] Error 2

Your help is highly required!

Regards

Jibiao Li
Chongqing, China

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/a47cd953-f7fb-475c-9b94-2fe73fc416f4n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230621/5701ae91/attachment.htm>