<DIV><BR>Dear PWSCF users</DIV>
<DIV> When I use R and G parallelization to run job ,it as if wait for the input . According peoples advice ,I use k-point parallelization ,it runs well . But it runs too slow .The information I can offerred as following:</DIV>
<DIV>(1) : CUP usage of one node is as</DIV>
<DIV>Tasks: 143 total, 10 running, 133 sleeping, 0 stopped, 0 zombie<BR>Cpu0 : 99.7%us, 0.3%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu1 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu2 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu3 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu4 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu5 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu6 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Cpu7 :100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si, 0.0%st<BR>Mem: 8044120k total, 6683720k used, 1360400k free, 1632k buffers<BR>Swap: 4192956k total, 2096476k used, 2096480k free, 1253712k cached<BR></DIV>
<DIV>(2) The input file of PBS</DIV>
<DIV>#!/bin/sh<BR>#PBS -j oe<BR>#PBS -N pw<BR>#PBS -l nodes=1:ppn=8<BR>#PBS -q small <BR>cd $PBS_O_WORKDIR<BR>hostname<BR>/usr/local/bin/mpirun -np 8 -machinefile $PBS_NODEFILE /home/wang/bin/pw.x -npool 8 -in ZnO.pw.inp>ZnO.pw.out</DIV>
<DIV>(3)</DIV>
<DIV><A href="mailto:wang@node22">wang@node22</A>:~> netstat -s<BR>Ip:<BR> 1894215181 total packets received<BR> 0 forwarded<BR> 0 incoming packets discarded<BR> 1894215181 incoming packets delivered<BR> 979205769 requests sent out<BR> 30 fragments received ok<BR> 60 fragments created<BR>Icmp:<BR> 2 ICMP messages received<BR> 1 input ICMP message failed.<BR> ICMP input histogram:<BR> destination unreachable: 2<BR> 2 ICMP messages sent<BR> 0 ICMP messages failed<BR> ICMP output histogram:<BR> destination unreachable: 2<BR>IcmpMsg:<BR> InType3: 2<BR> OutType3: 2<BR>Tcp:<BR> 5662 active connections openings<BR> 9037 passive connection openings<BR> 68 failed connection attempts<BR> 1 connection resets received<BR> 18 connections established<BR> 1894049565 segments received<BR> 979043182 segments send out<BR> 284 segments retransmited<BR> 0 bad segments received.<BR> 55 resets sent<BR>Udp:<BR> 165614 packets received<BR> 0 packets to unknown port received.<BR> 0 packet receive errors<BR> 162301 packets sent<BR> RcvbufErrors: 0<BR> SndbufErrors: 0<BR>UdpLite:<BR> InDatagrams: 0<BR> NoPorts: 0<BR> InErrors: 0<BR> OutDatagrams: 0<BR> RcvbufErrors: 0<BR> SndbufErrors: 0<BR>TcpExt:<BR> 10 resets received for embryonic SYN_RECV sockets<BR> ArpFilter: 0<BR> 5691 TCP sockets finished time wait in fast timer<BR> 25 time wait sockets recycled by time stamp<BR> 17369935 delayed acks sent<BR> 1700 delayed acks further delayed because of locked socket<BR> 18 packets directly queued to recvmsg prequeue.<BR> 8140 packets directly received from backlog<BR> 1422037027 packets header predicted<BR> 7 packets header predicted and directly queued to user<BR> TCPPureAcks: 2794058<BR> TCPHPAcks: 517887764<BR> TCPRenoRecovery: 0<BR> TCPSackRecovery: 56<BR> TCPSACKReneging: 0<BR> TCPFACKReorder: 0<BR> TCPSACKReorder: 0<BR> TCPRenoReorder: 0<BR> TCPTSReorder: 0<BR> TCPFullUndo: 0<BR> TCPPartialUndo: 0<BR> TCPDSACKUndo: 0<BR> TCPLossUndo: 1<BR> TCPLoss: 357<BR> TCPLostRetransmit: 6<BR> TCPRenoFailures: 0<BR> TCPSackFailures: 0<BR> TCPLossFailures: 0<BR> TCPFastRetrans: 235<BR> TCPForwardRetrans: 46<BR> TCPSlowStartRetrans: 0<BR> TCPTimeouts: 3<BR> TCPRenoRecoveryFail: 0<BR> TCPSackRecoveryFail: 0<BR> TCPSchedulerFailed: 0<BR> TCPRcvCollapsed: 0<BR> TCPDSACKOldSent: 0<BR> TCPDSACKOfoSent: 0<BR> TCPDSACKRecv: 2<BR> TCPDSACKOfoRecv: 0<BR> TCPAbortOnSyn: 0<BR> TCPAbortOnData: 0<BR> TCPAbortOnClose: 0<BR> TCPAbortOnMemory: 0<BR> TCPAbortOnTimeout: 0<BR> TCPAbortOnLinger: 0<BR> TCPAbortFailed: 0<BR> TCPMemoryPressures: 0<BR> TCPSACKDiscard: 0<BR> TCPDSACKIgnoredOld: 1<BR> TCPDSACKIgnoredNoUndo: 0<BR> TCPSpuriousRTOs: 0<BR> TCPMD5NotFound: 0<BR> TCPMD5Unexpected: 0<BR>IpExt:<BR> InNoRoutes: 0<BR> InTruncatedPkts: 0<BR> InMcastPkts: 0<BR> OutMcastPkts: 0<BR> InBcastPkts: 0<BR> OutBcastPkts: 0</DIV>
<DIV>when I install the PWSCF ,I only use the command line :</DIV>
<DIV>./configure </DIV>
<DIV>make all .</DIV>
<DIV>And it install successful .</DIV>
<DIV> </DIV>
<DIV>I don't know why it run so slow ,how to solve this problem ? Any advice will be appreciated !</DIV>
<DIV> </DIV>
<DIV>Best regard</DIV>
<DIV>Q . J. Wang </DIV>
<DIV>XiangTan University <BR><BR></DIV>
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