[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 egbertc... at gmail.com
Tue Apr 14 01:11:27 UTC 2020

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it's working 

i really appreciate for your help.

thank you so much!

在 2020年4月14日星期二 UTC+8上午3:23:28，Alfio Lazzaro写道：
>
> Ah, sorry, I thought you ere doing POPT (i.e. no OpenMP) version...
>
> Well, no just that:
> 1. Need to add OpenMP flag to CXXFLAGS (yes, you are right)
> 2. Need to add OpenMP flag for NVFLAGS host compilation, i.e. 
> add -Xcompiler='-fopenmp'
>
> Alfio
>
>
>
> Il giorno lunedì 13 aprile 2020 11:25:01 UTC+2, egbertchang ha scritto:
>>
>> 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!
>>>>>>>>>
>>>>>>>>>  
>>>>>>>>>
>>>>>>>>> -- 
>>>>>>>>> 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 c... at googlegroups.com.
>>>>>>>>> To view this discussion on the web visit 
>>>>>>>>> https://groups.google.com/d/msgid/cp2k/78a99a91-1baa-4377-a667-39cd327bb9e4%40googlegroups.com 
>>>>>>>>> <https://groups.google.com/d/msgid/cp2k/78a99a91-1baa-4377-a667-39cd327bb9e4%40googlegroups.com?utm_medium=email&utm_source=footer>
>>>>>>>>> .
>>>>>>>>>
>>>>>>>>
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