[CP2K-user] [CP2K:18955] Re: Compilation errors of CP2K on ubuntu

[Matt Watkins]

Please follow Fabien's suggestion.
You should see some actual error message earlier in the output. As Fabien 
suggests, you probably need to install some libraries.

On Thursday, 22 June 2023 at 01:48:59 UTC+1 Jibiao Li wrote:

> Hi, Matt
>
> I updated the files by using git pull. The error disappeared. However the 
> command "make -j 104 ARCH=local VERSION="ssmp sdbg psmp pdbg"" ran into 
> another error in the end :
>
> ... ...  
> -L/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib/intel64 
> -Wl,-rpath,/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib/intel64  
> -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core  
> -Wl,--end-group -lpthread -lm -ldl -lvori -lstdc++ -lstdc++
> cd /home/jibiaoli/codes/cp2k/exe/local; ln -sf cp2k.ssmp cp2k_shell.ssmp
> cd /home/jibiaoli/codes/cp2k/exe/local; ln -sf cp2k.ssmp cp2k.sopt
> make: *** [Makefile:123: all] Error 2
>
> Your help is highly required to remove the errors
>
> Regards
>
> Jibiao Li
>
> On Wed, 21 Jun 2023 at 17:14, Matt Watkins <mattwa... at gmail.com> wrote:
>
>> Hi,
>> quick suggestions to check before looking any deeper:
>> (i) clean your distribution (make distclean) so there are no old files 
>> left around
>> (ii) update files (git pull) just in case
>> then try again. 
>> Matt
>>
>> On Wednesday, 21 June 2023 at 09:19:22 UTC+1 Jibiao Li wrote:
>>
>>>  Hi, all
>>>
>>> I just found that the file 
>>> under /home/jibiaoli/codes/cp2k/exts/dbcsr/src/base is "dbcsr_machine.F" 
>>> rather than "dbcsr_machine.F90". So I changed to the file name from the 
>>> former to the latter. 
>>> Now I try to run the command :  make -j 8 ARCH=Linux-intel-x86_64 
>>> VERSION=psmp
>>>
>>> It gives the following message:
>>> Discovering programs ...
>>> make -C /home/jibiaoli/codes/cp2k/exts/dbcsr -f 
>>> /home/jibiaoli/codes/cp2k/exts/build_dbcsr/Makefile \
>>>    ARCHFILE=/home/jibiaoli/codes/cp2k/arch/Linux-intel-x86_64.psmp \
>>>   
>>>  LIBDIR=/home/jibiaoli/codes/cp2k/lib/Linux-intel-x86_64/psmp/exts/dbcsr \
>>>   
>>>  OBJDIR=/home/jibiaoli/codes/cp2k/obj/Linux-intel-x86_64/psmp/exts/dbcsr \
>>>    USE_ACCEL="" \
>>>    ACC="" \
>>>    ACCFLAGS=""
>>> Removing stale archives for psmp ... 
>>> Resolving dependencies for psmp ... 
>>> Removing stale archives ... 
>>> Resolving dependencies ... 
>>> makedep error: Circular package dependency: libdbcsr -> libdbcsr -> 
>>> libdbcsr
>>> make[3]: *** [/home/jibiaoli/codes/cp2k/exts/build_dbcsr/Makefile:228: 
>>> makedep] Error 1
>>>
>>> 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
>>>
>>> I need your help to resolve this problem as I am completely new to LINUX 
>>> and CP2K.
>>>
>>> Regards
>>>
>>> Jibiao Li
>>>
>>> On Wednesday, 21 June 2023 at 16:05:20 UTC+8 Jibiao Li wrote:
>>>
>>>> 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+uns... at googlegroups.com.
>> To view this discussion on the web visit 
>> https://groups.google.com/d/msgid/cp2k/b0210cd6-1c2a-467c-a050-39d5ad9d4c43n%40googlegroups.com 
>> <https://groups.google.com/d/msgid/cp2k/b0210cd6-1c2a-467c-a050-39d5ad9d4c43n%40googlegroups.com?utm_medium=email&utm_source=footer>
>> .
>>
>

-- 
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/d74beeb7-3b54-48b0-b0c2-6e9f49339371n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230622/6f197ffb/attachment.htm>