From owner-chemistry@ccl.net Mon Nov 17 05:49:00 2008
From: "Andrew R Turner andrew.turner^ed.ac.uk" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL: MPI
Message-Id: <-38114-081117053158-13184-vdCRLacrEkMdB1pH0lgUHw_+_server.ccl.net>
X-Original-From: Andrew R Turner <andrew.turner!=!ed.ac.uk>
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Date: Mon, 17 Nov 2008 10:31:35 +0000
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Sent to CCL by: Andrew R Turner [andrew.turner|a|ed.ac.uk]

Hi John,

So you manage to compile MPI successfully? If so, can you check that a =20
simple MPI 'Hello World' program compiles and executes OK (example =20
below)?

Cheers

Andy


program mpi_test
   use mpi
   implicit none

   integer :: comm, nrank, irank, ierr

   call mpi_init(ierr)
   comm =3D MPI_COMM_WORLD
   call mpi_comm_size(comm, nrank, ierr)
   call mpi_comm_rank(comm, irank, ierr)

   write(6,*) 'Hello world from rank', irank

   call mpi_finalize(ierr)

end program mpi_test

Quoting "John McKelvey jmmckel=3Dgmail.com" <owner-chemistry\a/ccl.net>:

> Andy,
>
> Dual AMD64 Opteron 270 (dual-core)
> Run on a single 4-processor box in SMP
> OS: RHEL4, Kernel:2.6.9-42 (64bit)
> Default + Intel 10 compiler  (don't know what was used for ORCA)
> At beginning of SCF: fails on opening guess file (test.gbw, which is there
> and seems of appropriate size)
>
>
> Thanks!
>
> John
>
>
>
> On Fri, Nov 14, 2008 at 4:30 AM, Andrew R Turner andrew.turner(~)ed.ac.uk =
<
> owner-chemistry * ccl.net> wrote:
>
>>
>> Sent to CCL by: Andrew R Turner [andrew.turner|a|ed.ac.uk]
>>
>> Hi John,
>>
>> Could you provide the detials of your hardware, OS and compilers?
>> Specifically:
>>
>> * Processor type (& number)
>> * Interconnects
>> * OS (+ kernel version)
>> * Compiler
>> * Issues you are having; error messages from compile, etc.
>>
>> Then we might be able to provide some more help.
>>
>> Cheers
>>
>> Andy
>>
>> =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D
>>     Dr Andrew R. Turner
>>  e: andrew.turner#ed.ac.uk
>>  t: +44 (0)131 651 3578
>>  p: Edinburgh Parallel Computing Centre
>>     University of Edinburgh
>>     EH9 3JZ
>> =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D
>>
>> --
>> The University of Edinburgh is a charitable body, registered in
>> Scotland, with registration number  =20
>> SC005336.http://www.ccl.net/chemistry/sub_unsub.shtml>
>> Job: http://www.ccl.net/jobsConferences:
>> http://server.ccl.net/chemistry/announcements/conferences/>
>>
>>
>



=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D
      Dr Andrew R. Turner
   e: andrew.turner\a/ed.ac.uk
   t: +44 (0)131 651 3578
   p: Edinburgh Parallel Computing Centre
      University of Edinburgh
      EH9 3JZ
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D

--=20
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.


From owner-chemistry@ccl.net Mon Nov 17 11:12:00 2008
From: "Alex A. Granovsky gran{}classic.chem.msu.su" <owner-chemistry(a)server.ccl.net>
To: CCL
Subject: CCL: Announce of beta test program for PC GAMESS/Firefly running under MAC OS X
Message-Id: <-38115-081117091500-23594-mDOhVA78g9bRXxIRDFDMQw(a)server.ccl.net>
X-Original-From: "Alex A. Granovsky" <gran[a]classic.chem.msu.su>
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Date: Mon, 17 Nov 2008 15:41:03 +0300
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Sent to CCL by: "Alex A. Granovsky" [gran##classic.chem.msu.su]
Dear CCLers,

We are glad to announce the start of beta test program for PC GAMESS/Firefly
running under MAC OS X.
If you are interested to participate, please contact me directly for
details.

Best regards,
Alex Granovsky on behalf of the PC GAMESS/Firefly Team.