[molpro-user] Parallel Molpro 2002.6 on ALTIX 350
Nick Wilson
WilsonNT at Cardiff.ac.uk
Thu Sep 15 11:32:22 BST 2005
Hi Jacek,
It looks as if fastbcopy comes with the sgi MPT library
http://www.sgi.com/products/evaluation/2.1_mpt_1.9_linux/page2.html
which looks as if it needs the SGI ProPack
http://oss.sgi.com/projects/sgi_propack/
Without the MPT library you you not be able access the shared memory
NUMA capabilities of an Altix. molpro also uses the dplace comand from
the numatools package to place the molpro executables on specific
processors which improves shared memory usage.
Best wishes,
Nick Wilson
Ross Nobes wrote:
> Hi Jacek,
>
> I am using the same compilers as you on Itanium hardware, but not on an
> SGI Altix system. There is some special code in armci/src/copy.h for
> Altix systems only, and hence I do not run into this fastbcopy problem.
>
> If you really do not have access to fastbcopy, then you could disable
> the following lines in armci/src/copy.h and then build the TCGMSG
> version as I suggested earlier:
>
> #if defined(LINUX64) && defined(SGIALTIX)
> /* fastbcopy from Wayne Vieira and Gerardo Cisneros */
> #define MEMCPY
> #define armci_copy(src, dst, len) _fastbcopy(src, dst, len)
> #define memcpy(dst, src, len) _fastbcopy(src, dst, len)
> #define bcopy(src, dst, len) _fastbcopy(src, dst, len)
> #endif
>
> e.g. delete the lines above and then do
>
> make TARGET=LINUX64 CC=icc FC=ifort
>
> Cheers,
> Ross
>
>
>>-----Original Message-----
>>From: Jacek Klos [mailto:jakl at tiger.chem.uw.edu.pl]
>>Sent: 14 September 2005 17:59
>>To: molpro-user at molpro.net
>>Cc: Ross Nobes
>>Subject: RE: [molpro-user] Parallel Molpro 2002.6 on ALTIX 350
>>
>>Hi Ross,
>>I tried this gmake options as you wrote and I get the following error
>>during gmake of GA:
>>IPO Error: unresolved : _fastbcopy
>> Referenced in libarmci.a(armci.o)
>> Referenced in libarmci.a(message.o)
>> Referenced in libarmci.a(mutex.o)
>> Referenced in libarmci.a(strided.o)
>> Referenced in libarmci.a(vector.o)
>> Referenced in libarmci.a(rmw.o)
>> Referenced in libarmci.a(memlock.o)
>> Referenced in libarmci.a(request.o)
>>../../lib/LINUX64/libarmci.a(strided.o)(.text+0x24b2): In function
>>`armci_copy_2D':
>>: undefined reference to `_fastbcopy'
>>../../lib/LINUX64/libarmci.a(strided.o)(.text+0x2532): In function
>>`armci_copy_2D':
>>: undefined reference to `_fastbcopy'
>>../../lib/LINUX64/libarmci.a(strided.o)(.text+0x2572): In function
>>`armci_copy_2D':
>>: undefined reference to `_fastbcopy'
>>../../lib/LINUX64/libarmci.a(strided.o)(.text+0x2632): In function
>>`armci_copy_2D':
>>: undefined reference to `_fastbcopy'
>>../../lib/LINUX64/libarmci.a(strided.o)(.text+0x2692): In function
>>`armci_copy_2D':
>>: undefined reference to `_fastbcopy'
>>../../lib/LINUX64/libarmci.a(strided.o)(.text+0x2712): more undefined
>>references to `_fastbcopy' follow
>>gmake[2]: *** [test.x] Error 1
>>rm util.o ffflush.o test.o
>>gmake[2]: Leaving directory `/opt/GlobalArray3.3.3/g/global/testing'
>>gmake[1]: *** [test.x] Error 1
>>gmake[1]: Leaving directory `/opt/GlobalArray3.3.3/g/global'
>>gmake: *** [test] Error 2
>>
>>Did you run into this error?
>>Thank you
>>Jacek
>>
>>Ross wrote------
>>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|
>>---------------------------------
>>
>>
>>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|
>>---------------------------------
>
>
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