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Global Error Fehler In Processor 0

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 You signed in with another tab or window. 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 Reload to refresh your session. weblink

df 0 0 0 0 3 3110 PAOS 73750. 61009. Calculation stops when optimization started with the message: ".........Geometry optimization using default procedure for command MULTI Geometry written to block 1 of record 700 GETMEM ERROR IN GETMEM HerR Free GLOBAL ikirker commented May 3, 2016 So, still to do: go back and build from source on Legion. 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.

GLOBAL ERROR fehler on processor 0 Looks like I need set "THRORTH" to a large value? application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 !LICENCE! Reply ↓ Enid on October 7, 2013 at 1:53 am said: 哈,谢谢补充。 Reply ↓ JJJ on October 7, 2013 at 4:24 pm said: DFT和HF还好,post-SCF其他方法关于number of M.O. User was informed.

df 0 0 0 0 7 6220 FRo 5586852. 19259240. 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. inspect output **** For further information, look in the output file **** /dev/shm/molpro/tmp.p0k6DdniyE/Molpro2015/testjobs/gly2_pno_restart2.errout Running job gly2_pno_restart3.test Write error in iow_direct_write; fd=30, l=32768, p=68054397; write returns -1 This may indicate a filled heatherkellyucl commented May 17, 2016 Source version is also built on Legion.

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. df 0 0 0 0 4 3120 OSVS 134759. 375934. heatherkellyucl commented Apr 21, 2016 The tests all ran successfully that time. Perhaps full disk? ?

df 0 0 0 0 5 6200 Fpp 510693. 4646184. 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 ... Already have an account? The binary now uses mpiexec.hydra so appears to have switched away from OpenMPI to an MPICH-like one.

Notify me of new posts via email. inspect output **** For further information, look in the output file **** /dev/shm/molpro/tmp.p0k6DdniyE/Molpro2015/testjobs/gly2_pnof12.errout Going to check the outputs to see if it was just a space full issue and also run heatherkellyucl commented Apr 20, 2016 • edited It was using /tmp/ccspapp for the working directory for the tests. [[email protected] testjobs]$ df -h Filesystem Size Used Avail Use% Mounted on /dev/sda2 4.7G 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.

Thanks, Wei Here is the input file: ! $Revision: 2008.1 $ ***,B19- memory, 190, m; geomtyp=xyz geometry={ 19 8_4_opt_b3lyp- -472.00270280 B 1.39776481 2.75197223 0.00659344 B 0.77460976 -2.89988577 -0.00436179 B -0.06929959 2.92628886 http://xhpcreations.com/global-error/global-error-handling-global-asax.html heatherkellyucl commented Mar 15, 2016 We shouldn't need it to use a wrapper at all - Intel MPI isn't using one. of electron correlation 都有可能是错的。学姐近来可好? Enid on October 7, 2013 at 10:31 pm said: 其实也不算错吧?按照计算的时候用的basis function来说,或许core的电子就用1个basis function表示了? 你的意思是,如果是做HF就不会出现这样的问题? Molpro的话,对于HF计算也会有同样的问题。 Any thought ? application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 **** PROBLEMS WITH JOB gly2_pno_restart2.test gly2_pno_restart2.test: ERRORS DETECTED: non-zero return code ...

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. inspect output Yes, looks like those tests just didn't fit in /tmp. I/O error. http://xhpcreations.com/global-error/global-error-fehler-in-processor.html Terms Privacy Security Status Help You can't perform that action at this time.

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 Molpro instances on Legion and Grace have been updated with the new license token which lasts until 12th April 2017. Warning: licence will expire on 2016/05/13 0: fehler 1 (0x1).

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

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 ... df 0 0 0 0 6 6210 Foo 5156877. 429975. Sign in to comment Contact GitHub API Training Shop Blog About © 2016 GitHub, Inc. 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 !LICENCE! heatherkellyucl closed this May 17, 2016 Sign up for free to join this conversation on GitHub. 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 this content 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: ***

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 也有这个bug! df 0 0 0 0 2 3102 MOS 65105. 8645. Isufficient memory? inspect output **** For further information, look in the output file **** /dev/shm/molpro/tmp.p0k6DdniyE/Molpro2015/testjobs/gly2_pno_restart3.errout Running job gly2_pnof12.test Write error in iow_direct_write; fd=31, l=28490, p=11723539; write returns -1 This may indicate a filled

Cancel reply Enter your comment here... Warning: licence will expire on 2016/05/13 0: fehler 1 (0x1). Blog at WordPress.com. %d bloggers like this: application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 !LICENCE!

Warning: licence will expire on 2016/05/13 0: fehler 1 (0x1). Yeldar443__mail.ru För att kunna använda diskussioner i Google Grupper måste du aktivera JavaScript i webbläsarinställningarna och sedan uppdatera sidan. . 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 #$ Related This entry was posted in Trouble shooting and tagged Molpro by Enid.

Error ? GLOBAL ERROR fehler on processor 0 When I set "GTHRESH,THROVL=1.d-10", the error message disapear, but another error arised: WARNING: ORBITALS825.1 120.1 NOT ORTHONORMAL: -0.1758D-07 WARNING: ORBITALS840.1 120.1 NOT ORTHONORMAL: -0.1024D-07 WARNING: Grace definitely needs a compilation from source as the binary version is currently producing empty .out files and no errors. balston commented May 4, 2016 The UCL Molpro license has now been renewed for another year.