Hi All, I installed AMBER8 on Opteron Dual core, dual processor, Rocks cluster with the following options/libraries:
Compiler: Intel 9 Fortran and C++ compilers. Blas Library: MKL8 MPI: MPICH2 compiled with Intel compiler. During make serial, I got an error for xterm library(libXt.so). Then found this lib's availability at /usr/lib64/. But the makefile of amber8/src/leap/src/leap/ has /usr/lib -lXt .. . I changed it to /usr/lib64 After this I built both serial and parallel AMBER executables successfully. But when I execute with the following: mpirun -np 4 /usr/bin/numactl -c0-1 $AMBERHOME/amber8/exe/sander ...input file parameters Note: Numactl is used to bind the processes to particular processors for better performance. its giving: symbol lookup error: undefined symbol: __intel_cpu_indicator I guessed, this might relate to MKL library. During 'make' it was taking MKL lib*.so files from $MKL_HOME/lib/32 (in config.h file). Changed $MKL_HOME/lib/32 to $MKL_HOME/lib/64 since the arch is AMD64 opteron. But it is giving incompatible -libvml.so file. I'm not getting why this error is coming. Any help for this will be appreciated. Thanks & Regards, Sangamesh
_______________________________________________ Beowulf mailing list, Beowulf@beowulf.org To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf
