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wuli8荣誉版主 (知名作家)
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[求助]wein2k集群并行
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Recommended options for system linuxif9 are: RP_LIB(SCALAPACK+PBLAS): -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -L /opt/local/fftw/lib/ -lfftw_mpi -lfftw FPOPT(par.comp.options): $(FOPT) MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ Current settings: RP RP_LIB(SCALAPACK+PBLAS): -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -L /opt/local/fftw/lib/ -lfftw_mpi -lfftw FP FPOPT(par.comp.options): $(FOPT) MP MPIRUN commando : 请问这里的RP，FP和MP怎么样设置？谢谢。 我微机集群的配置Q6600四核。 intel ifort 编译器，安装位置是默认的 [ Last edited by wuli8 on 2009-5-3 at 10:26 ] |
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wuli8
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9楼2009-03-08 14:47:20
2楼2009-03-06 01:04:33
wuli8
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spur(金币+4,VIP+0):Many thanks！！ 3-6 11:50
spur(金币+4,VIP+0):Many thanks！！ 3-6 11:50
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Howto-WIEN2k v 0.12 May 8 2006 ============================= 0. make sure you got some good compiler and libraries, e.g. ifort9 and mkl8 or later (free for academic use from intel) on your computer If you are the administrator of the computer update '/etc/ld.so.conf' with paths to the libraries you are using: /opt/intel/fc/9.0/lib /opt/intel/mkl/8.0.1/lib/32 (just an example above) and run 'ldconfig' check that the compiler is in your path (if you enter 'ifort' is it found?) 1. copy a recent distribution of WIEN2k, for example 'WIEN2k_06.2_060309.tar' located at '/HOME/ikeno' on "earth" or at '/home/weine' on "earth" For the following steps also refer to the WIEN2k manual ======================================================= also check http://www.wien2k.at/reg_user/index.html for F.A.Q. and searching the WIEN2k mailing list 2. create a directory to install WIEN2k, for example 'WIEN2k/06.2' move your tar-file there, expand files etc: $ tar xvf WIEN2k_06.2_060309.tar $ gzip -d *.gz $ ./expand_lapw clean up a bit by: $ mkdir tars $ mv *.tar tars 3. configure and compile WIEN2k by running $ ./siteconfig you can choose for example system 'J' modify the settings 'O', 'L' and 'R', I use the following compiler flags on a 64-bit Opteron system: O (FOPT) -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3 -xW L (LDFLAGS) -L/opt/intel/fce/9.0/lib -i-static -lguide_stats -lsvml -lpthread R (R_LIBS) -L/opt/intel/mkl/8.0.1/lib/em64t -lmkl_lapack -lmkl_em64t -lguide -lpthread on a 32-bit Pentium 4 system I just modify: -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3 -xW -L/opt/intel/fc/9.0/lib -i-static -lguide_stats -lsvml -lpthread -L/opt/intel/mkl/8.0.1/lib/32 -lmkl_lapack -lmkl_ia32 -lguide -lpthread you can also ask Ikeno-san for good compiler flags on your system you might also try the default flags for system 'J' and check if they work use the appropriate version of ifort, depending if you use 32-bit or 64-bit system for itanium systems the compiler and flags would be a bit different I found the flags I'm using by reading 'Fecher_CompileIntel.pdf' the parameters NMATMAX and NMATMUL should reflect the RAM available on your computer, e.g. on my 8 GB RAM opteron I used (though I'm no expert) NMATMAX = 80000 NMATMUL = 8000 this also depends on 4. configure the user environment $ ./userconfig |
3楼2009-03-06 08:52:59
wuli8
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wuchenwf(金币+2,VIP+0):谢谢共享 3-6 21:59
wuchenwf(金币+2,VIP+0):谢谢共享 3-6 21:59
4楼2009-03-06 08:54:48
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