[molpro-user] Parallel Molpro 2002.6 on ALTIX 350

[Ross Nobes]

Hi Jacek,

If you want to use the TCGMSG-based version of the GA, you will need to
build with

make TARGET=LINUX64 CC=icc FC=ifort

Cheers,
Ross

> -----Original Message-----
> From: owner-molpro-user at molpro1.chem.cf.ac.uk [mailto:owner-molpro-
> user at molpro1.chem.cf.ac.uk] On Behalf Of Jacek Klos
> Sent: 14 September 2005 17:28
> To: molpro-user at molpro.net
> Subject: [molpro-user] Parallel Molpro 2002.6 on ALTIX 350
> 
> Dear Molpro users,
> I am trying to install parallel version of molpro 2002.6
> on SGI ALTIX 350 Itanium2 system with NUMAlink interconnect.
> I use ifort 9 and icc 9 Intel compiler. I succesfully compiled
> and linked serial version of Molpro, but I run into problems
> with parallel version.
> I am seeking advise on how  to properly compile Global Arrays
> and link it with Molpro installation. If I compile GA
> using TARGET=LINUX it compiles, but molpro linker fails
> with a lot of unresolved symbols, for example:
> IPO Error: unresolved : pbeginf_
>          Referenced in libmolpro.a(mpputil.o)
> IPO Error: unresolved : mitob_
>          Referenced in libmolpro.a(mpputil.o)
>          Referenced in libmolpro.a(globalop.o)
> IPO Error: unresolved : pend_
>          Referenced in libmolpro.a(mpputil.o)
> IPO Error: unresolved : nodeid_
>          Referenced in libmolpro.a(mpputil.o)
> IPO Error: unresolved : nnodes_
>          Referenced in libmolpro.a(mpputil.o)
> IPO Error: unresolved : mdtob_
>          Referenced in libmolpro.a(mpputil.o)
>          Referenced in libmolpro.a(globalop.o)
>          Referenced in libmolpro.a(getbs.o)
> 
> /opt/GlobalArray3.3.3/g/lib/LINUX/libarmci.a(fence.o)(.text+0xaa1): In
> function `ARMCI_Barrier':
> : undefined reference to `SYNCH_'
> /opt/GlobalArray3.3.3/g/lib/LINUX/libarmci.a(message.o)(.text+0x15a2):
In
> function `armci_msg_barrier':
> _sbuf/message.c:377: undefined reference to `SYNCH_'
> /opt/GlobalArray3.3.3/g/lib/LINUX/libarmci.a(message.o)(.text+0x15f2):
In
> function `armci_msg_me':
> _sbuf/message.c:391: undefined reference to `NODEID_'
> /opt/GlobalArray3.3.3/g/lib/LINUX/libarmci.a(message.o)(.text+0x1652):
In
> function `armci_msg_nproc':
> _sbuf/message.c:405: undefined reference to `NNODES_'
> /opt/GlobalArray3.3.3/g/lib/LINUX/libarmci.a(message.o)(.text+0x16b2):
In
> function `armci_timer':
> _sbuf/message.c:419: undefined reference to `tcgtime_'
> /opt/GlobalArray3.3.3/g/lib/LINUX/libarmci.a(message.o)(.text+0x1752):
In
> function `armci_msg_abort':
> 
> and so on.
> I think my GA installation is not full and I will be glad to hear from
> experts in this matter.
> Thank you in advance
> Jacek
> 
> Jacek A. Klos
> ---------------------------------
> Quantum Chemistry Laboratory     |
> Department of Chemistry          |
> University of Warsaw             |
> Pasteura 1 Street                |
> 02-093 Warsaw                    |
> Poland                           |
> (+4822)8220211 ext. 213          |
> e-mail: jakl at tiger.chem.uw.edu.pl|
> ---------------------------------