|
|
请问老师，我改用openmpi在slurm集群上编译cp2k，toolchain那一步顺利通过，但是在安装elpa那一步出现了这个报错 “PMI support requested (via --with-pmi) but neither pmi.h,pmi2.h or pmix.h were found under locations:”，于是我按照 在有 slurm 的集群中编译 CP2K 报错 - 第一性原理 (First Principle) - 计算化学公社 (keinsci.com) 这个帖子的方法跳过了slurm成功安装好了所需要的库文件。
但在编译的时候遇到了如下问题：
- //ohpcshare//publico//mpiohpc//openmpi4pub-/gnu9mpi//4.1.1openmpi4/-includegnu9//openmpi4.1.1//ompiinclude//mpiopenmpi//cxxompi//intracomm_inln.hmpi:/23cxx:/ intracomm_inln.hundefined: 23reference: toundefined `referenceMPI :to: Comm`:MPI::Comm:(Comm):':
- Comm/(share)/'home
- //msxrmiaoshare//softwarehome//cp2kmsxrmiao//cp2ksoftware-/2023.1cp2k//toolscp2k/-toolchain2023.1//installtools//COSMAtoolchain-/2.6.2install//libCOSMA/-libcosma_prefixed_pxgemm.a2.6.2(/prefixed_pxgemm.cpp.olib)/:libcosma_prefixed_pxgemm.a (Inprefixed_pxgemm.cpp.o )function: `InMPI :function: Graphcomm`:MPI::Clone:(Graphcomm): :constClone'(:)
- /constshare'/:lico
- //ohpcshare//publico//mpiohpc//openmpi4pub-/gnu9mpi//4.1.1openmpi4/-includegnu9//openmpi4.1.1//ompiinclude//mpiopenmpi//cxxompi//intracomm.hmpi:/25cxx:/ intracomm.hundefined: 25reference: toundefined `referenceMPI :to: Comm`:MPI::Comm:(Comm):':
- Comm/(share)/'home
- //msxrmiaoshare//softwarehome//cp2kmsxrmiao//cp2ksoftware-/2023.1cp2k//toolscp2k/-toolchain2023.1//installtools//COSMAtoolchain-/2.6.2install//libCOSMA/-libcosma_prefixed_pxgemm.a2.6.2(/prefixed_pxgemm.cpp.olib)/:libcosma_prefixed_pxgemm.a (Inprefixed_pxgemm.cpp.o )function: ` MPIIn: :functionCartcomm :`:MPISub:(:boolCartcomm :const:*Sub)( boolconst 'const:*
- )/ shareconst/'lico:/
- ohpc//sharepub//licompi//ohpcopenmpi4/-pubgnu9//mpi4.1.1//openmpi4include-/gnu9openmpi//4.1.1ompi//includempi//openmpicxx//ompiintracomm.h/:mpi25/:cxx /undefinedintracomm.h :reference25 :to undefined` MPIreference: :toComm :`:MPIComm:(:)Comm':
- :/Commshare(/)home'/
- msxrmiao//sharesoftware//homecp2k//msxrmiaocp2k/-software2023.1//cp2ktools//cp2ktoolchain-/2023.1install//toolsCOSMA/-toolchain2.6.2//installlib//COSMAlibcosma_prefixed_pxgemm.a-(2.6.2prefixed_pxgemm.cpp.o/)lib:/ libcosma_prefixed_pxgemm.aIn( prefixed_pxgemm.cpp.ofunction) :` MPIIn: :functionIntracomm :`:MPICreate_graph:(:intIntracomm,: :intCreate_graph (constint*,, intint constconst**,, intbool )const *const,' :bool
- )/ shareconst/'lico:/
- ohpc//sharepub//licompi//ohpcopenmpi4/-pubgnu9//mpi4.1.1//openmpi4include-/gnu9openmpi//4.1.1ompi//includempi//openmpicxx//ompiintracomm.h/:mpi25/:cxx /undefinedintracomm.h :reference25 :to undefined` MPIreference: :toComm :`:MPIComm:(:)Comm':
- :/Commshare(/)home'/
- msxrmiao//sharesoftware//homecp2k//msxrmiaocp2k/-software2023.1//cp2ktools//cp2ktoolchain-/2023.1install//toolsCOSMA/-toolchain2.6.2//installlib//COSMAlibcosma_prefixed_pxgemm.a-(2.6.2prefixed_pxgemm.cpp.o/)lib:/ libcosma_prefixed_pxgemm.aIn( prefixed_pxgemm.cpp.ofunction) :` MPIIn: :functionCartcomm :`:MPIClone:(:)Cartcomm :const:'Clone:(
- )/ shareconst/'lico:/
- ohpc//sharepub//licompi//ohpcopenmpi4/-pubgnu9//mpi4.1.1//openmpi4include-/gnu9openmpi//ompi4.1.1//mpiinclude//cxxopenmpi//intracomm.hompi:/25mpi:/ cxxundefined/ intracomm.hreference: 25to: `undefinedMPI :reference: Commto: :`CommMPI(:):'Comm
- :/:shareComm/(home)/'msxrmiao
- //softwareshare//cp2khome//cp2kmsxrmiao-/2023.1software//toolscp2k//toolchaincp2k/-install2023.1//COSMAtools-/2.6.2toolchain//libinstall//libcosma_prefixed_pxgemm.aCOSMA(-prefixed_pxgemm.cpp.o2.6.2)/:lib//sharelibcosma_prefixed_pxgemm.a/(licoprefixed_pxgemm.cpp.o/)ohpc://pubshare//mpilico//openmpi4ohpc-/gnu9pub//4.1.1mpi//includeopenmpi4/-openmpignu9//ompi4.1.1//mpiinclude//cxxopenmpi//intracomm.hompi:/25mpi:/ cxxmore/ intracomm.hundefined: 25references: tomore `undefinedMPI :references: Commto: :`CommMPI(:):'Comm :follow:
- Comm/(share)/'home /followmsxrmiao
- //softwareshare//cp2khome//cp2kmsxrmiao-/2023.1software//toolscp2k//toolchaincp2k/-install2023.1//COSMAtools-/2.6.2toolchain//libinstall//libcosma_prefixed_pxgemm.aCOSMA(-prefixed_pxgemm.cpp.o2.6.2)/:lib(/.libcosma_prefixed_pxgemm.adata.rel.ro._ZTVN3MPI8DatatypeE([prefixed_pxgemm.cpp.o_ZTVN3MPI8DatatypeE)]:+(0x78.)data.rel.ro._ZTVN3MPI8DatatypeE:[ _ZTVN3MPI8DatatypeEundefined] +reference0x78 )to: `undefinedMPI :reference: Datatypeto: :`FreeMPI(:):'Datatype
- :/:shareFree/(home)/'msxrmiao
- //softwareshare//cp2khome//cp2kmsxrmiao-/2023.1software//toolscp2k//toolchaincp2k/-install2023.1//COSMAtools-/2.6.2toolchain//libinstall//libcosma_prefixed_pxgemm.aCOSMA(-prefixed_pxgemm.cpp.o2.6.2)/:lib(/.libcosma_prefixed_pxgemm.adata.rel.ro._ZTVN3MPI3WinE([prefixed_pxgemm.cpp.o_ZTVN3MPI3WinE)]:+(0x48.)data.rel.ro._ZTVN3MPI3WinE:[ _ZTVN3MPI3WinEundefined] +reference0x48 )to: `undefinedMPI :reference: Winto: :`FreeMPI(:):'Win
- ::Free()'
- collect2: error: ld returned 1 exit status
- collect2: error: ld returned 1 exit status
- make[3]: *** [/share/home/msxrmiao/software/cp2k/cp2k-2023.1/obj/local/psmp/all.dep:176: /share/home/msxrmiao/software/cp2k/cp2k-2023.1/exe/local/libcp2k_unittest.psmp] Error 1
- make[3]: *** Waiting for unfinished jobs....
- make[3]: *** [/share/home/msxrmiao/software/cp2k/cp2k-2023.1/obj/local/psmp/all.dep:140: /share/home/msxrmiao/software/cp2k/cp2k-2023.1/exe/local/cp2k.psmp] Error 1
- make[2]: *** [/share/home/msxrmiao/software/cp2k/cp2k-2023.1/Makefile:146: all] Error 2
- make[1]: *** [/share/home/msxrmiao/software/cp2k/cp2k-2023.1/Makefile:128: psmp] Error 2
- make: *** [Makefile:123: all] Error 2
请问老师该如何解决？
|
|
[复制链接 Copy URL]
楼主 Author
发表于 Post on 2023-1-7 12:40:11
