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Global Error Fehler On Processor 0

User was informed. No convergence. Already have an account? application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 !LICENCE! http://xhpcreations.com/global-error/global-error-fehler-in-processor-0.html

Error ? Welcome! 回复 支持(0) 反对(0) 举报 albinking albinking 当前离线 最后登录2015-7-13在线时间12 小时Vip0.000 金币140 注册时间2007-6-19阅读权限20帖子44精华0积分152UID3611 0主题 0听众 152积分 Registered Registered, 积分 152, 距离下一级还需 48 积分 金币140 Vip0.000 精华0帖子44UID3611 收听TA 发消息 串个门 打招呼 4# 发表于 The problem occurs in writew gly2_pno_restart1.test: ERRORS DETECTED: non-zero return code ... application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 **** PROBLEMS WITH JOB gly2_pno_restart3.test gly2_pno_restart3.test: ERRORS DETECTED: non-zero return code ... http://www.molpro.net/pipermail/molpro-user/2009-April/002976.html

Warning: licence will expire on 2016/05/13 0: fehler 1 (0x1). Grace definitely needs a compilation from source as the binary version is currently producing empty .out files and no errors. heatherkellyucl commented Mar 15, 2016 Here was the full example script used. #!/bin/bash -l #$ -S /bin/bash #$ -l h_rt=0:30:00 #$ -l mem=1G #$ -N molpro_test #$ -pe mpi 4 #$

A SYM. B A B T(IJ, AB) [Alpha-Beta] 10 10 2 2 1 1 -0.07547833 11 heatherkellyucl commented Apr 20, 2016 The molpro tests have failed at the end: **** test not completed successfully make[1]: *** [test] Error 1 rm timing make[1]: Leaving directory `/dev/shm/molpro/tmp.p0k6DdniyE/Molpro2015/testjobs' make: *** Blog at WordPress.com. %d bloggers like this:

heatherkellyucl closed this Mar 16, 2016 heatherkellyucl reopened this Apr 13, 2016 heatherkellyucl commented Apr 13, 2016 Reopening as we have the Molpro source now. You signed in with another tab or window. Warning: licence will expire on 2016/05/13 0: fehler 1 (0x1). Warning: licence will expire on 2016/05/13 0: fehler 1 (0x1).

df 0 0 0 0 3 3110 PAOS 73750. 61009. Mein KontoSucheMapsYouTubePlayNewsGmailDriveKalenderGoogle+脺bersetzerFotosMehrShoppingDocsBooksBloggerKontakteHangoutsNoch mehr von GoogleAnmeldenAusgeblendete FelderNach Gruppen oder Nachrichten suchen Um Google Groups Discussions nutzen zu k枚nnen, aktivieren Sie JavaScript in Ihren Browsereinstellungen und aktualisieren Sie dann diese Seite. . TO FILE 6 IMPLEMENTATION=df FILE HANDLE= 1031 IERR= -75472 Records on file 6 IREC NAME TYPE OFFSET LENGTH IMPLEMENTATION EXT PREV PARENT MPP_STATE 1 3100 MOS 4096. 61009. Can rerun with a different working directory set.

Terms Privacy Security Status Help You can't perform that action at this time. https://groups.google.com/d/topic/ccc-support-group/-7I3yiTQsas application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 **** PROBLEMS WITH JOB gly2_pno_restart1.test gly2_pno_restart1.test: ERRORS DETECTED: non-zero return code ... CALCULATION STOPPED Norm of t1 vector: 1.29439547 S-energy: -0.00978441 T1 diagnostic:0.18162039 GLOBAL ERROR fehler on processor 0 Looks like I need set "THRORTH" to a large value?

df 0 0 0 0 File= 1 SIZE= 0.02 GB File= 2 SIZE= 0.01 GB File= 3 SIZE= 0.00 GB File= 4 SIZE= 0.33 GB File= 5 SIZE= 0.19 GB File= http://xhpcreations.com/global-error/global-error-handling-global-asax.html heatherkellyucl commented Mar 15, 2016 Tried a run using 24 cores over 2 nodes - it finished quickly enough I couldn't check how many processes were running. Fill in your details below or click an icon to log in: Email (required) (Address never made public) Name (required) Website You are commenting using your WordPress.com account. (LogOut/Change) You are IN00856134 heatherkellyucl added App install Legion labels Dec 3, 2015 heatherkellyucl self-assigned this Mar 14, 2016 heatherkellyucl commented Mar 14, 2016 Still no Infiniband binaries available.

balston commented May 4, 2016 The UCL Molpro license has now been renewed for another year. Reload to refresh your session. rank 1 in job 3c0118_45841 caused collective abort of all ranks exit status of rank 1: killed by signal 9 ———————————————————————————————————————————————————————————————————————— 出错后输入信息变为 : memory,200 ,M gprint,basis gprint,orbital basis={ } geomtyp=xyz geometry={ http://xhpcreations.com/global-error/global-error-fehler-in-processor.html Error ?

heatherkellyucl commented Mar 15, 2016 We shouldn't need it to use a wrapper at all - Intel MPI isn't using one. CCL: Error in trnsition state search in MOLPRO From: "Eldar Mamin" Subject: CCL: Error in trnsition state search in MOLPRO Date: Fri, 8 Feb 2013 07:11:42 -0500 Sent to CCL heatherkellyucl commented Mar 16, 2016 Updated wiki page and also checked on Grace - example there is running the correct number of processes on all nodes.

Reply ↓ Enid on October 7, 2013 at 1:53 am said: 鍝堬紝璋㈣阿琛ュ厖銆 Reply ↓ JJJ on October 7, 2013 at 4:24 pm said: DFT鍜孒F杩樺ソ锛宲ost-SCF鍏朵粬鏂规硶鍏充簬number of M.O.

heatherkellyucl commented Apr 20, 2016 Test command to use two processes and write temp files to /dev/shm: make MOLPRO_OPTIONS="-n2 -d/dev/shm" test And my test job over 32 cores worked and produced Isufficient memory? This error exit can be avoided using the NOCHECK option ? Probably due to wrong coordinates.鈥 灞忓箷涓婁細鍑虹幇鈥淕LOBAL ERROR fehler on processor 0 鈥濈瓑閿欒 鍗充娇鎹㈡垚Z-MATRIX鐨勬牸寮忔潵鍋氫篃鏄竴鏍枫 瑙e喅涔嬮亾锛 鍑虹幇杩欑鎯呭喌鏄洜涓哄I鍘熷瓙浣跨敤浜哻c-pVTZ-PP杩欎釜璧濆娍鍩虹粍锛屽鑷粹滄荤數瀛愭暟鈥濅笉鍐嶆槸94浜嗐 fix鐨勬柟娉曟槸涓嶅啓鈥渨f, 94, 1, 0鈥濓紝璁╃▼搴忚嚜宸辩畻銆傜▼搴忕粰鍑虹殑鐢靛瓙鏁颁細鏄66锛屽皯浜94-66=28銆傚簲璇ユ槸鎺掗櫎浜嗗唴灞傦紙1s,2s,2p,3s,3p,3d锛夌殑鐢靛瓙銆 鍚屾牱鐨勯棶棰 瑙 http://www.molpro.net/pipermail/molpro-user/2008-May/002541.html 浠ュ強 http://140.123.79.88/~silvercy/Data/CH3Br/CH3Br_CASSPT2apdz-pp_opt.log_6 鍓嶈呮病鏈夋彁鍙婃槸浠涔堝垎瀛愶紝涓嶈兘瀹屽叏纭畾鏄悓鏍风殑鍘熷洜锛涘悗鑰呭惈Br锛屾墍浠ュ緢鍙兘涔熸槸浣跨敤璧濆娍鍩虹粍瀵艰嚧鐨勩 Share this:TwitterFacebookGoogleLike this:Like Loading...

memory used in cckint: 6388717 ( 1 integral passes) ********************************************************************************************************************************** DATASETS* FILE NREC LENGTH (MB) RECORD NAMES 1 19 2.37 heatherkellyucl commented Apr 19, 2016 Built on Grace and is running tests. df 0 0 0 0 7 6220 FRo 5586852. 19259240. have a peek at these guys Perhaps full disk? ?

My script: #!/bin/bash -l #SBATCH -p parallel #SBATCH -N 2 # Number of nodes #SBATCH -n 12 # total nuber of cores #SBATCH -t 1:30:00 # time as hh:mm:ss #SBATCH -J Now submitted a test job. (Examples are in /shared/ucl/apps/molpro/2015.1.3/examples/) Execute line was molpro -n $NSLOTS h2o_scf.com heatherkellyucl commented Mar 15, 2016 Need to specify -W directory or it will try to inspect output **** For further information, look in the output file **** /dev/shm/molpro/tmp.p0k6DdniyE/Molpro2015/testjobs/gly2_pno_restart1.errout Running job gly2_pno_restart2.test Write error in iow_direct_write; fd=30, l=32768, p=68742436; write returns -1 This may indicate a filled Molpro instances on Legion and Grace have been updated with the new license token which lasts until 12th April 2017.

Personal Open source Business Explore Sign up Sign in Pricing Blog Support Search GitHub This repository Watch 9 Star 4 Fork 3 UCL-RITS/rcps-buildscripts Code Issues 11 Pull requests 0 Projects We recommend upgrading to the latest Safari, Google Chrome, or Firefox. A SYM. memory used in cckext: 7733138 (12 integral passes) Max.

A A T(IA) [Beta-Beta] 4 1 1 0.10610348 4 1 3 0.05025553 Bookmark the permalink. 4 thoughts on “[Trouble Shooting] Molpro: "Norm of gradient contribution ishuge!"” JJJ on October 6, 2013 at 10:35 pm said: Gaussian 09 A 涔熸湁杩欎釜bug! memory used in ccsd: 8689979 Max. A A T(IA) [Alpha-Alpha] 4 1 1 0.06014807 4 1 5 -0.09283600

Current binary version is 2015.1 Patchlevel 3 -2016-02-06 06:14 heatherkellyucl commented Mar 14, 2016 Binary is installed - need to tell it to use our MPI wrapper. Reload to refresh your session. memory needed in ccsd: 6084619 Max. Very much faster than the 4 cores, anyway. (Given the binaries say they can only use Ethernet for communication and not Infiniband, something with a lot of communication may go slowly).

ikirker commented May 3, 2016 So, still to do: go back and build from source on Legion. application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 !LICENCE! TRIPLES WILL NOT BE DONE. application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 **** PROBLEMS WITH JOB gly2_pnof12.test gly2_pnof12.test: ERRORS DETECTED: non-zero return code ...