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
output.8cpu
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output.4cpu
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output.32cpu
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