[CP2K-user] [CP2K:13094] installing cp2k-7.1 with gpu shows this file requires compiler and library support for the ISO C++ 2011 standard.
Alfio Lazzaro
alfio.... at gmail.com
Sun Apr 12 08:31:45 UTC 2020
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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