[CP2K-user] [CP2K:17670] why cp2k instructions are wrong

CC_nerd ashrafharis638 at gmail.com
Wed Sep 14 07:03:14 UTC 2022


Hi 
I am getting same error is it been solved?

On Wednesday, 28 July 2021 at 04:00:34 UTC+8 volk... at gmail.com wrote:

> Dear Fabian:
> thank you for the kind email.
>
> > For 8.2: the command 'make ARCH=Linux-x86-64-gfortran.ssmp' is wrong, 
> use the same syntax as for 7.1 and 8.1: 'make ARCH=Linux-x86-64-gfortran 
> VERSION=ssmp' 
>
> *Answer: Thank you ..clear*
>
> >For 8.1: add -fopenmp to the lines CFLAGS and FCFLAGS in 
> /cp2k-8.1/Cygwin-i686-gfortran.sopt 
>
>
> *Answer: *
>
> *I set *
> *CPPFLAGS      = -fopenmp*
> CFLAGS does not exit in the sopt 
>
> *but *
> what the heck
>
> *I added the line*
> *CFLAGS        = -fopenmp*
>
> *and also I set*
> *FCFLAGS     = -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form 
> -fopenmp $(DFLAGS) * 
>
>
> *still I get  *
>
> /cp2k-8.1/src/grid/common/grid_library.c:28:2: error: #error "OpenMP is 
> required. Please add -fopenmp to your C compiler flags."
>    28 | #error "OpenMP is required. Please add -fopenmp to your C compiler 
> flags."
>       |  ^~~~~
> make[3]: *** [/cp2k-8.1/Makefile:508: grid_library.o] Error 1
> make[2]: *** [/cp2k-8.1/Makefile:144: all] Error 2
> make[1]: *** [/cp2k-8.1/Makefile:130: sopt] Error 2
> make: *** [Makefile:121: all] Error 2
>
> *.. -fopenmp is not recognized regardless*
>
> >"run 'git submodule update --init --recursive'"
>
>
> *ANSWER:*
>
> *under CYGWIN I tried to command *
> *"git submodule update --init --recursive"*
>
> *and got* 
> *"-bash: git: command not found"*
>
> *Shoul I go to SIGWIN update and search through databases*
> *that somewhere there should be THREE libraries titled*
>
> *1) "run.LIB" *
>
> *2) "git.LIB" *
>
> *3) " --init --recursive.LIB" *
> *to be installed in a "collective" way, all together? *
>
> please instruct ....very curious!!!
>
> Thank you.
> sincerely
> victor
>
>
>
>
>
> On Tue, Jul 27, 2021 at 8:50 PM Fabian Ducry <fabia... at gmail.com> wrote:
>
>> Hi
>>
>> I'm not sure what is misleading. The error message tells you what to do:
>>
>> For 7.1: go to /cp2k-7.1.0 and run 'git submodule update --init 
>> --recursive', then try again
>>
>> For 8.1: add -fopenmp to the lines CFLAGS and FCFLAGS in 
>> /cp2k-8.1/Cygwin-i686-gfortran.sopt
>>
>> For 8.2: the command 'make ARCH=Linux-x86-64-gfortran.ssmp' is wrong, use 
>> the same syntax as for 7.1 and 8.1: 'make ARCH=Linux-x86-64-gfortran 
>> VERSION=ssmp'
>>
>> Cheers
>>
>> Fabian
>> On 27.07.2021 19:17, Victor Volkov wrote:
>>
>> why cp2k instructions are misleading
>> for any version
>>
>>
>>  /cp2k-7.1.0
>> $ make ARCH=Cygwin-i686-gfortran VERSION=sopt
>> Discovering programs ...
>> /cp2k-7.1.0/exts/Makefile.inc:2: *** "No DBCSR submodule available, 
>> please run 'git submodule update --init --recursive'".  Stop.
>> make[1]: *** [/cp2k-7.1.0/Makefile:123: sopt] Error 2
>> make: *** [Makefile:118: all] Error 2
>>
>> /cp2k-8.1
>> $ make ARCH=Cygwin-i686-gfortran VERSION=sopt
>> Discovering programs ...
>> Version sopt is now an alias for ssmp with OMP_NUM_THREADS=1.
>> Removing stale archives for ssmp ...
>> Resolving dependencies for ssmp ...
>> make -C /cp2k-8.1/exts/dbcsr -f .cp2k/Makefile \
>>    INCLUDEMAKE=/cp2k-8.1/arch/Cygwin-i686-gfortran.ssmp \
>>    LIBDIR=/cp2k-8.1/lib/Cygwin-i686-gfortran/ssmp/exts/dbcsr \
>>    OBJDIR=/cp2k-8.1/obj/Cygwin-i686-gfortran/ssmp/exts/dbcsr \
>>    ACC="" \
>>    ACCFLAGS=""
>> Removing stale archives ...
>> Resolving dependencies ...
>> gcc -c  /cp2k-8.1/src/grid/common/grid_library.c
>> /cp2k-8.1/src/grid/common/grid_library.c:28:2: error: #error "OpenMP is 
>> required. Please add -fopenmp to your C compiler flags."
>>    28 | #error "OpenMP is required. Please add -fopenmp to your C 
>> compiler flags."
>>       |  ^~~~~
>> make[3]: *** [/cp2k-8.1/Makefile:508: grid_library.o] Error 1
>> make[2]: *** [/cp2k-8.1/Makefile:144: all] Error 2
>> make[1]: *** [/cp2k-8.1/Makefile:130: sopt] Error 2
>> make: *** [Makefile:121: all] Error 2
>>
>>
>> /cp2k-8.2
>> $ make ARCH=Linux-x86-64-gfortran.ssmp
>> Discovering programs ...
>> /cp2k-8.2/Makefile:51: /cp2k-8.2/arch/Linux-x86-64-gfortran.ssmp.ssmp: No 
>> such file or directory
>> make[2]: *** No rule to make target 
>> '/cp2k-8.2/arch/Linux-x86-64-gfortran.ssmp.ssmp'.  Stop.
>> make[1]: *** [/cp2k-8.2/Makefile:126: ssmp] Error 2
>> make: *** [Makefile:121: all] Error 2
>>
>>
>>
>>
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