[CP2K-user] [CP2K:13094] installing cp2k-7.1 with gpu shows this file requires compiler and library support for the ISO C++ 2011 standard.

[egbertchang]

thank so much for your great advise, the mistake has gone 

however after installation, i Run the cp2k.popt , it shows:

ABORT in dbcsr_lib.F:187 DBCSR compiled w/ threading support while libcusmm 
com
 piled w/o threading support.

should i compile with CXXOMPFLAGS? 

在 2020年4月13日星期一 UTC+8上午3:42:56，Alfio Lazzaro写道：
>
> From what I can see, you are compiling cublas.cu via
>
> nvcc -c --std=c++11 -O3 --cuda -keep --dryrun -w -g  
> -I'/gpfs/users_home/20116/cp2k-7.1-icc17u4/cp2k-7.1/exts/dbcsr/src' 
> /gpfs/users_home/20116/cp2k-7.1-icc17u4/cp2k-7.1/exts/dbcsr/src/acc/cublaswrap/
> cublas.cu
>
> I'm not a nvcc expert, but from the help I found that:
>
> --cuda  (-cuda)                         
>         Compile all .cu input files to .cu.cpp.ii output.
>
> Is there any reason why you added this flag? I think it avoids generating 
> the canonical .o file, hence the error you get...
> Could you try without it?
>
> Alfio
>
>
> Il giorno domenica 12 aprile 2020 12:05:15 UTC+2, egbertchang ha scritto:
>>
>> Dear Alfio 
>>
>> here is my make.log 
>>
>>
>>
>>
>> 在 2020年4月12日星期日 UTC+8下午4:31:46，Alfio Lazzaro写道：
>>>
>>> This is not the library, it is the compilation of the file cublas.cu 
>>> (the file is at exts/dbcsr/src/acc/cublaswrap).
>>> I assume something went wrong in the compilation.
>>> Could you run a 
>>>
>>> make -j 32   ARCH=Linux-x86-64-intel VERSION=popt distclean
>>>
>>> and then recompile again? You can also dum the make.log and attach here:
>>>
>>> make -j 32   ARCH=Linux-x86-64-intel VERSION=popt > make.log
>>>
>>> Alfio
>>>
>>>
>>>
>>> Il giorno sabato 11 aprile 2020 10:32:53 UTC+2, egbertchang ha scritto:
>>>>
>>>> thank you, the problem was fixed after i following your advise,  
>>>> however now it showed this mistake
>>>>
>>>> ar: cublas.o: No such file or directory
>>>>    
>>>>
>>>> but my cuda lib have the cublas lib 
>>>> libcublas_device.a     
>>>> libcublas.so            
>>>> libcublas.so.9.0       
>>>> libcublas.so.9.0.176 
>>>>
>>>>
>>>> 在 2020年4月10日星期五 UTC+8下午3:53:23，Alfio Lazzaro写道：
>>>>>
>>>>> CUDA requires C++, so you have to set the CXXFLAGS.
>>>>>
>>>>> As example, take a look at the file: 
>>>>> https://storage.googleapis.com/cp2k-ci/dashboard_cuda-pascal_report.txt
>>>>> (the arch file is reported at the beginning)
>>>>> Basically, the line is:
>>>>>
>>>>> CXXFLAGS    = -O2 -std=c++11 -D__CUDA
>>>>>
>>>>> BTW, you have a legacy macro, you are using CUDA 9, so you don't 
>>>>> need -D__HAS_PATCHED_CUFFT_70.
>>>>>
>>>>> Best regards,
>>>>>
>>>>> Alfio
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> Il giorno giovedì 9 aprile 2020 15:20:35 UTC+2, egbertchang ha scritto:
>>>>>>
>>>>>> yes, i have already tried both of them. but the problem were still  
>>>>>> there
>>>>>>
>>>>>> 在 2020年4月9日星期四 UTC+8下午6:16:26，Matthias Krack写道：
>>>>>>>
>>>>>>> Did you try to add the flag -std=c++11 or -std=gnu++11 also to the 
>>>>>>> CFLAGS?
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> M.
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> *From:* c... at googlegroups.com <c... at googlegroups.com> *On Behalf 
>>>>>>> Of *egbertchang
>>>>>>> *Sent:* Donnerstag, 9. April 2020 10:55
>>>>>>> *To:* cp2k <c... at googlegroups.com>
>>>>>>> *Subject:* [CP2K:13094] installing cp2k-7.1 with gpu shows this 
>>>>>>> file requires compiler and library support for the ISO C++ 2011 standard.
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> Recently , I tried to install cp2k-7.1 with gpu.
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> intel2017u4
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> cuda9.1
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> but the information showed :
>>>>>>>
>>>>>>> gcc520/include/c++/5.2.0/bits/c++0x_warning.h:32:2: error: #error 
>>>>>>> This file requires compiler and library support for the ISO C++ 2011 
>>>>>>> standard. This support is currently experimental, and must be enabled with 
>>>>>>> the -std=c++11 or -std=gnu++11 compiler options.
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> there is my file
>>>>>>>
>>>>>>> make -j 32   ARCH=Linux-x86-64-intel VERSION=popt
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> Linux-x86-64-intel.popt
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> LIBXSMM  = $HOME/soft/cp2k-7.1-need/libxsmm
>>>>>>>
>>>>>>> LIBXC    = $HOME/soft/cp2k-7.1-need/libxc/intel-hsw
>>>>>>>
>>>>>>> LIBINT   = $HOME/soft/cp2k-7.1-need/libint/intel-skx
>>>>>>>
>>>>>>> LIBELPA  = $HOME/soft/cp2k-7.1-need/elpa/intel-skx-omp
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> NVCC     = nvcc
>>>>>>>
>>>>>>> CC       = cc
>>>>>>>
>>>>>>> FC       = mpiifort
>>>>>>>
>>>>>>> LD       = mpiifort
>>>>>>>
>>>>>>> CXX      = g++
>>>>>>>
>>>>>>> AR       = ar -r
>>>>>>>
>>>>>>> NVFLAGS  = --std=c++11  --cuda -keep --dryrun
>>>>>>>
>>>>>>> DFLAGS   = -D__MKL -D__FFTW3 -D__LIBXSMM \
>>>>>>>
>>>>>>>            -D__parallel -D__SCALAPACK \
>>>>>>>
>>>>>>>            -D__ELPA=201911 \
>>>>>>>
>>>>>>>            -D__LIBXC \
>>>>>>>
>>>>>>>            -D__LIBINT  \
>>>>>>>
>>>>>>>            -D__MAX_CONTR=4
>>>>>>>
>>>>>>> DFLAGS  += -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__HAS_PATCHED_CUFFT_70
>>>>>>>
>>>>>>> CFLAGS   = $(DFLAGS) -O2 
>>>>>>>
>>>>>>> FCFLAGS  = $(DFLAGS) -O2 -funroll-loops -fpp -free -qopenmp -auto
>>>>>>>
>>>>>>> GPUVER = V100
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> FCFLAGS += -fp-model precise
>>>>>>>
>>>>>>> FCFLAGS += -g -traceback
>>>>>>>
>>>>>>> FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
>>>>>>>
>>>>>>> FCFLAGS += -I$(LIBXSMM)/include
>>>>>>>
>>>>>>> FCFLAGS += -I$(LIBXC)/include
>>>>>>>
>>>>>>> FCFLAGS += -I$(LIBINT)/include
>>>>>>>
>>>>>>> FCFLAGS += -I$(LIBELPA)/include/elpa_openmp-2019.11.001/modules 
>>>>>>> -I$(LIBELPA)/include/elpa_openmp-2019.11.001/elpa
>>>>>>>
>>>>>>> LDFLAGS  = $(FCFLAGS) -static-intel
>>>>>>>
>>>>>>> LDFLAGS_C = $(FCFLAGS) -static-intel -nofor_main
>>>>>>>
>>>>>>> LIBS     = -L$(LIBELPA)/lib -lelpa
>>>>>>>
>>>>>>> MKL_LIB  = ${MKLROOT}/lib/intel64
>>>>>>>
>>>>>>> LIBS    += $(MKL_LIB)/libmkl_scalapack_lp64.a -Wl,--start-group \
>>>>>>>
>>>>>>>            $(MKL_LIB)/libmkl_intel_lp64.a 
>>>>>>> ${MKL_LIB}/libmkl_sequential.a \
>>>>>>>
>>>>>>>            $(MKL_LIB)/libmkl_core.a \
>>>>>>>
>>>>>>>            ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group \
>>>>>>>
>>>>>>>            -lpthread -lm
>>>>>>>
>>>>>>> LIBS    += -L$(LIBXSMM)/lib -lxsmmf -lxsmm -ldl
>>>>>>>
>>>>>>> LIBS    += -L$(LIBXC)/lib -lxcf03 -lxc
>>>>>>>
>>>>>>> LIBS    += -L$(LIBINT)/lib -lint2 -lstdc++
>>>>>>>
>>>>>>> LIBS    += -lcudart -lcublas -lcufft -lnvrtc -lstdc++ -lcuda
>>>>>>>
>>>>>>>  
>>>>>>>
>>>>>>> does my popt file or the enivorment have some mistakes? 
>>>>>>>
>>>>>>> Thanks in advance for your assistance!
>>>>>>>
>>>>>>>  
>>>>>>>
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>>>>>>> .
>>>>>>>
>>>>>>
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