Installing MPI Dmrg

Question

Hello Everyone
I installed Itensor and mpicxx ( by sudo apt-get .... ) in my own computer then
edited the Makefile as following:

ITENSORLIBRARYDIR=$(HOME)/Downloads/ITensor-master
MPICFLAGS=-I/usr/lib/x8664-linux-gnu/openmpi/include
MPILFLAGS= -pthread -I/usr/lib/x8664-linux-gnu/openmpi/include -L/usr//lib -L/usr/lib/x8664-linux-gnu/openmpi/lib -lmpicxx -lmpi

I still met bug informations by typing "make"

dmrg.o: In function main': pdmrg.cc:(.text.startup+0xa6e): undefined reference toMPIFinalize'
pdmrg.cc:(.text.startup+0xb1f): undefined reference to `MPIFinalize'

Could someone tell me what I missed ?
Best wishes
Wanzhou

Comments

Hi, so to get the correct include and linker flags, did you try using the command line program "mpicxx -showme" ? Or some other mpi frameworks offer similar commands. The "-showme" flag will print out the correct compiler flags for you to use. You should put the -llibname flags in the precise same order as in the printout.

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Hello Miles
Thank you for your comment.
I typed mpicxx -showme:compile  
then put the location  as  MPI_CFLAGS

MPI_CFLAGS=-I/usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -I/usr/lib/x86_64-linux-gnu/openmpi/include/openmpi/opal/mca/event/libevent2022/libevent -I/usr/lib/x86_64-linux-gnu/openmpi/include/openmpi/opal/mca/event/libevent2022/libevent/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -pthread

I used   mpicxx --showme:link and got the LFLAGS
MPI_LFLAGS=-pthread -L/usr//lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_cxx -lmpi

then I make again, still  got bug informations.

Best Wishes
Wanzhou

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Hi Wanzhou, could you please say also what the bug information is?

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zhang@mlpxy:~/Downloads/parallelDMRG-master$ make
g++ -m64 -std=c++11 -pthread -L/usr//lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_cxx -lmpi -I. -I/home/zhang/Downloads/ITensor-master  -O2 -DNDEBUG -Wall -DPLATFORM_lapack -D__ASSERT_MACROS_DEFINE_VERSIONS_WITHOUT_UNDERSCORES=0 -Wno-unused-variable pdmrg.o -o pdmrg -L/home/zhang/Downloads/ITensor-master/lib -litensor -lpthread -L/usr/lib -lblas -llapack
pdmrg.o: In function `MPI::Comm::Get_rank() const':
pdmrg.cc:(.text._ZNK3MPI4Comm8Get_rankEv[_ZNK3MPI4Comm8Get_rankEv]+0x1e): undefined reference to `MPI_Comm_rank'
pdmrg.o: In function `MPI::Comm::Get_size() const':
 .........................
pdmrg.cc:(.text._ZN7itensor11pdmrgWorkerINS_8ITensorTINS_7IQIndexEEENS_8LocalMPOIS3_EEEEdRKNS_11EnvironmentERKNS_9PartitionERNS_4MPStIT_EERSt6vectorISD_SaISD_EERT0_RKNS_6SweepsERNS_8ObserverENS_4ArgsE[_ZN7itensor11pdmrgWorkerINS_8ITensorTINS_7IQIndexEEENS_8LocalMPOIS3_EEEEdRKNS_11EnvironmentERKNS_9PartitionERNS_4MPStIT_EERSt6vectorISD_SaISD_EERT0_RKNS_6SweepsERNS_8ObserverENS_4ArgsE]+0x28cd): undefined reference to `MPI_Send'
pdmrg.o: In function `main':
pdmrg.cc:(.text.startup+0xa6e): undefined reference to `MPI_Finalize'
pdmrg.cc:(.text.startup+0xb1f): undefined reference to `MPI_Finalize'
pdmrg.o:(.rodata._ZTVN3MPI8DatatypeE[_ZTVN3MPI8DatatypeE]+0x78): undefined reference to `MPI::Datatype::Free()'
pdmrg.o:(.rodata._ZTVN3MPI3WinE[_ZTVN3MPI3WinE]+0x48): undefined reference to `MPI::Win::Free()'
collect2: error: ld returned 1 exit status
Makefile:63: recipe for target 'pdmrg' failed
make: *** [pdmrg] Error 1

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Can you please try changing the compiler itself to mpicxx? That is, instead of g++? You can do this inside the Makefile by redefining the CCCOM variable

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Hi Miles
It is great.  Now 'make' works after modifying g++ as mpicxx in the Makefile.
Thank  you.
Best wishes
Wanzhou

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Nice to hear!

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Thank you for your help :)

Answer 1

To mark this question as answered, the solution that worked the best was to add the line:

CCCOM=mpicxx

in the Makefile to redefine the CCCOM (cc compiler) variable.

Or replace mpicxx with the appropriate C++ compiler frontend provided by your MPI distribution.