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04nylxb木蟲 (正式寫手)
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[求助]
請問有人能夠貼一個(gè)在多節(jié)點(diǎn)并行機(jī)上運(yùn)算成功的.castep輸出文件嗎？
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att，就是在多節(jié)點(diǎn)cluster上，進(jìn)行castep計(jì)算，成功后，會(huì)輸出一個(gè).castep的文件，我想看下一個(gè)運(yùn)行成功的并行castep，輸出結(jié)果都包含哪些結(jié)果，呵呵。 我自己弄的并行，現(xiàn)在還在跑著，發(fā)現(xiàn)當(dāng)processor使用少于24個(gè)的時(shí)候，任務(wù)能動(dòng)，但是processor多于24個(gè)，馬上就failure了 （我共60個(gè)processors，每個(gè)節(jié)點(diǎn)4個(gè)processor）。我發(fā)現(xiàn)，多節(jié)點(diǎn)速度很慢啊。上午到現(xiàn)在，優(yōu)化一個(gè)最簡單的C的單胞，一個(gè)點(diǎn)都還沒出來，用top查看，發(fā)現(xiàn)有幾個(gè)節(jié)點(diǎn)cpu確實(shí)有的，castep.exe也在運(yùn)行著。 因此想看下一個(gè)成功的并行CASTEP任務(wù)，輸出結(jié)果會(huì)是啥樣的，是否會(huì)告訴任務(wù)都在哪些節(jié)點(diǎn)上跑著？ 非常感謝。 或者發(fā)我郵箱，[email]04nylxb@zju.edu.cn （我共1個(gè)master node，15個(gè)計(jì)算node，機(jī)子比較老，每個(gè)節(jié)點(diǎn)內(nèi)存只有2G，CPU是Intel(R) Xeon(TM) CPU 2.80GHz ） 我每個(gè)節(jié)點(diǎn)一個(gè)一個(gè)測試，（每次運(yùn)行8個(gè)processor，一個(gè)master節(jié)點(diǎn)，加一個(gè)計(jì)算節(jié)點(diǎn)），測試下來，每個(gè)節(jié)點(diǎn)mpi運(yùn)行正常，都能正常運(yùn)算，但是一旦把所有節(jié)點(diǎn)都加進(jìn)去，dmol能夠用到24個(gè)processor，而CASTEP則不能，一旦多余24個(gè)processor，任務(wù)就馬上失敗了，……求指點(diǎn)。 CASTEP出這樣的錯(cuò)誤提示： his version was compiled for linux on Nov 13 2008 License checkout of MS_castep successful Pseudo atomic calculation performed for C 2s2 2p2 Converged in 17 iterations to a total energy of -145.8146 eV Plane wave load balancing: max 0 min 0 average 0 Error basis_count_plane_waves: need to have at least 1 plane wave on each node Current trace stack: basis_count_plane_waves basis_initialise castep Plane wave load balancing: max 0 min 0 average 0 Error basis_count_plane_waves: need to have at least 1 plane wave on each node Current trace stack: basis_count_plane_waves basis_initialise castep Plane wave load balancing: max 0 min 0 average 0 Error basis_count_plane_waves: need to have at least 1 plane wave on each node Current trace stack: basis_count_plane_waves basis_initialise castep Plane wave load balancing: max 0 min 0 average 0 Error basis_count_plane_waves: need to have at least 1 plane wave on each node Current trace stack: basis_count_plane_waves basis_initialise castep Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 Plane wave load balancing: max 0 min 0 average 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 3 pid 23954 on host master to cpu 3 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 1 pid 23952 on host master to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 11 pid 13852 on host node2 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 17 pid 22591 on host node4 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 16 pid 22590 on host node4 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 15 pid 12642 on host node3 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 13 pid 12640 on host node3 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 22 pid 10715 on host node5 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 9 pid 13850 on host node2 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 10 pid 13851 on host node2 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 8 pid 13849 on host node2 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 0 pid 23951 on host master to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 2 pid 23953 on host master to cpu 2 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 21 pid 10714 on host node5 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 23 pid 10716 on host node5 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 18 pid 22592 on host node4 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 19 pid 22593 on host node4 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 14 pid 12641 on host node3 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 12 pid 12639 on host node3 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 20 pid 10713 on host node5 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 4 pid 29981 on host node1 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 6 pid 29983 on host node1 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 7 pid 29984 on host node1 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 5 pid 29982 on host node1 to cpu 1 warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc warning:regcache incompatible with malloc MPI Application rank 3 exited before MPI_Finalize() with status 1 forrtl: severe (40): recursive I/O operation, unit 10, file unknown Image PC Routine Line Source castepexe_mpi.exe 0957C173 Unknown Unknown Unknown castepexe_mpi.exe 0957B793 Unknown Unknown Unknown castepexe_mpi.exe 0953041A Unknown Unknown Unknown castepexe_mpi.exe 094F0CD4 Unknown Unknown Unknown castepexe_mpi.exe 09525D9E Unknown Unknown Unknown castepexe_mpi.exe 080DB666 Unknown Unknown Unknown castepexe_mpi.exe 094EBD37 Unknown Unknown Unknown castepexe_mpi.exe 0950280A Unknown Unknown Unknown castepexe_mpi.exe 095251B5 Unknown Unknown Unknown castepexe_mpi.exe 084AC8E3 Unknown Unknown Unknown castepexe_mpi.exe 084B4575 Unknown Unknown Unknown castepexe_mpi.exe 08F5DF3A Unknown Unknown Unknown castepexe_mpi.exe 080503A5 Unknown Unknown Unknown libc.so.6 003D6E9C Unknown Unknown Unknown castepexe_mpi.exe 080502E1 Unknown Unknown Unknown forrtl: severe (40): recursive I/O operation, unit 10, file unknown Image PC Routine Line Source castepexe_mpi.exe 0957C173 Unknown Unknown Unknown castepexe_mpi.exe 0957B793 Unknown Unknown Unknown castepexe_mpi.exe 0953041A Unknown Unknown Unknown castepexe_mpi.exe 094F0CD4 Unknown Unknown Unknown castepexe_mpi.exe 09525D9E Unknown Unknown Unknown castepexe_mpi.exe 080DB666 Unknown Unknown Unknown castepexe_mpi.exe 094EBD37 Unknown Unknown Unknown castepexe_mpi.exe 0950280A Unknown Unknown Unknown castepexe_mpi.exe 095251B5 Unknown Unknown Unknown castepexe_mpi.exe 084AC8E3 Unknown Unknown Unknown castepexe_mpi.exe 084B4575 Unknown Unknown Unknown castepexe_mpi.exe 08F5DF3A Unknown Unknown Unknown castepexe_mpi.exe 080503A5 Unknown Unknown Unknown libc.so.6 003D6E9C Unknown Unknown Unknown castepexe_mpi.exe 080502E1 Unknown Unknown Unknown forrtl: severe (40): recursive I/O operation, unit 10, file unknown Image PC Routine Line Source castepexe_mpi.exe 0957C173 Unknown Unknown Unknown castepexe_mpi.exe 0957B793 Unknown Unknown Unknown castepexe_mpi.exe 0953041A Unknown Unknown Unknown castepexe_mpi.exe 094F0CD4 Unknown Unknown Unknown [ Last edited by 04nylxb on 2011-6-23 at 15:46 ] |
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04nylxb
木蟲 (正式寫手)
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2樓2011-06-24 10:34:45
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