This issue has been discussed a few days ago in the list (I myself answered it). Please check the list archives before posting a question: someone most likely has had the same problem you have had before.
Marcos On Thu, Mar 17, 2011 at 3:47 AM, <[email protected]> wrote: > Dear all, > > I compiled the siesta-3.0-rc2 on the Dawning 5000A in shanghai > supercomputer center with the following steps: > > --------------- > cd ~/software/siesta/src > > tar zxvf siesta-3.0-rc2.tgz > > cd siesta-3.0-rc2/Obj/ > > sh ../Src/obj_setup.sh > > ../Src/configure --prefix="/home/users/nxuzhs/software/siesta" > --enable-mpi > --with-blas="/home/compiler/intel/mkl/8.1.1/lib/em64t/libmkl_em64t.a > /home/compiler/intel/mkl/8.1.1/lib/em64t/libguide.a" > --with-lapack="/home/compiler/intel/mkl/8.1.1/lib/em64t/libmkl_lapack.a" > --with-blacs="/home/users/nxuzhs/software/lib/mvapich1-intel9/BLACS/LIB/libblacsCinit_mvapich-LINUX-0.a > /home/users/nxuzhs/software/lib/mvapich1-intel9/BLACS/LIB/libblacsF77init_mvapich-LINUX-0.a > /home/users/nxuzhs/software/lib/mvapich1-intel9/BLACS/LIB/libblacs_mvapich-LINUX-0.a" > --with-scalapack="/home/users/nxuzhs/software/lib/mvapich1-intel9/SCALAPACK/libscalapack.a" > > make > ---------------- > > Then I make a cpu time test on the siesta-3.0-rc2/Tests/batio3 with 4, 8, > 32 cpus. To my disappointment, the total run time are 1007.08 sec, 1962.38 > sec, and 5755.46 sec. Why does this happen? > > Are there any issues in my compling procedures? > > PS. The uname -a command give me the following results: > > nxuzhs@inode01:~/software/siesta/src/siesta-3.0-rc2/Tests/batio3> uname -a > Linux inode01 2.6.16.60-0.69.1-smp #1 SMP Mon Jan 10 14:38:14 CST 2011 > x86_64 x86_64 x86_64 GNU/Linux > > But I don't know how to select the appropriate arch.make file, and in the > result out file of siesta, I can see something like this: > > ----------------- > nxuzhs@inode01:~/software/siesta/src/siesta-3.0-rc2/Tests/batio3> more > myresults.out > Siesta Version: siesta-3.0-rc2 > Architecture : x86_64-unknown-linux-gnu--unknown > Compiler flags: mpif90 -g -O2 > PARALLEL version > ...... > ----------------- > > Attach please find the outfiles of summary by the LSF system for these > jobs. > > Regards. > > -- > Hongsheng Zhao <[email protected]> > School of Physics and Electrical Information Science, > Ningxia University, Yinchuan 750021, China > GnuPG DSA: 0xD108493 > 2011-3-17
