[Wien] WIEN2k compilation in parallel

Sergio Yanuen Rodriguez srodriguez at physics.tamu.edu
Fri Jul 25 21:42:37 CEST 2008


Dear wien2k users

I am trying to compile wien2k in parallel on a intel core quad processor
with fedora 8 and 8 GB in RAM but I am getting some errors. I am able to
install and run the serial version.

My software is:

Kernel version 2.6.25
gcc version 4.1.2
Intel Fortran compiler 10.1.015
Intel MKL 10.0.1.014
OpenMPI 1.2.4
WIEN2k_08.2

The compilation options are:
Current settings:
 O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -O3 -xW
 L   Linker Flags:            $(FOPT) -L/opt/intel/mkl/9.1.023/lib/em64t
-lpthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     -L/opt/intel/mkl/9.1.023/lib/em64t
-lmkl_lapack -lmkl_em64t -lguide -lvml -pthread

   Current settings:
     RP  RP_LIB(SCALAPACK+PBLAS): -L /opt/intel/mkl/10.0.1.014/lib/em64t
-L/usr/lib64/openmpi/1.2.4-gcc -lmkl_intel_lp64 -lmkl_scalapack_lp64
-lmkl_blacs_lp64 -lmpi_f90 -lmkl_lapack
     FP  FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -I/usr/include/openmpi/1.2.4-gcc
-I/usr/include/openmpi/1.2.4-gcc/64
     MP  MPIRUN commando        : mpirun -np _NP_ -machinefile

The errors I got are:

Compile time errors (if any) were:
SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1
SRC_lapw0/compile.msg:make: *** [para] Error 2
SRC_lapw1/compile.msg:_BI_Asend.c:(.text+0x5e): undefined reference to
`MPI_Error_class'
SRC_lapw1/compile.msg:_BI_Arecv.c:(.text+0x5e): undefined reference to
`MPI_Error_class'
SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [rp] Error 2
SRC_lapw1/compile.msg:_BI_Asend.c:(.text+0x5e): undefined reference to
`MPI_Error_class'
SRC_lapw1/compile.msg:_BI_Arecv.c:(.text+0x5e): undefined reference to
`MPI_Error_class'
SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [cp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [rp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [cp] Error 2

Any help is greatly appreciated

Thanks

Sergio Y. Rodriguez
Physics Department
Texas A&M University




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