Bug#687266: [Debichem-devel] Bug#687266: aces3: some jobs hang when run sequentially

2013-04-22 Thread Michael Banck
severity 687266 serious
thanks

On Tue, Sep 11, 2012 at 12:22:02PM +0200, Michael Banck wrote:
 When I run the same job as mention in #687264 with only one process, the
 job hangs in tran_rhf_ao_sv1.sio:

This applies to (at least) all test cases which fail for #687264 as
well.  Actually, only the test cases 1.1.1.1, 1.1.2.1, 1.1.2.2, 2.1.1.1,
2.1.2.1, 2.1.2.2 and 3.1.1.1 work fine (out of 41).  As such, this
should probably also be considered serious.  On the other hand, all test
cases will fail (instead of hanging in an infinite loop) with the patch
(the other test cases require at least two MPI processes), so I am not
100% sure about the severity.


Michael


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Bug#687266: [Debichem-devel] Bug#687266: aces3: some jobs hang when run sequentially

2013-04-22 Thread Michael Banck
tags 687266 +patch
thanks

On Mon, Apr 22, 2013 at 11:02:23AM +0200, Michael Banck wrote:
 On the other hand, all test cases will fail (instead of hanging in an
 infinite loop) with the patch (the other test cases require at least
 two MPI processes), so I am not 100% sure about the severity.

I forgot to add the patch to the bug report, attached.


Michael
Index: aces3-3.0.6/main/beta.F
===
--- aces3-3.0.6.orig/main/beta.F	2010-10-07 16:37:42.0 +0200
+++ aces3-3.0.6/main/beta.F	2013-04-11 22:46:53.438930814 +0200
@@ -571,6 +571,14 @@
ierr = ierr + 1
 endif
 
+if (.not. no_servers .and. nprocs .eq. 1) then
+   print *,'Job requires at least 2 processors to run.'
+   if (dryrun) then
+  print *,'- Aborting due to dryrun errors. '
+   endif
+   call abort_job()
+endif
+
 company_string = ' '
 io_company_id = 0