severe problems installing molpro on SGI

Echiverri, Terry terrye at mail.smu.edu
Tue Oct 16 00:16:58 BST 2001


Greetings,

	I'm having lots of problems getting molpro installed on an SGI
machine (r12k processor, IRIX64 6.5).  First, using 64-bit integers (-i8)
and f90 v. 7.3.0, the package will not even compile.  If I use f77 instead,
it will compile, however "make test" produces nothing but errors.  If I use
32 bit integers, and f77, it compiles, and *most* of the test programs work,
however, several of them don't and produce errors such as the following:

Running test job h2o_select.test
gmainv1 failure to allocate -2147325644
**** PROBLEMS WITH TEST JOB h2o_select.test
h2o_select.test: ERRORS DETECTED: non-zero return code ... inspect output
**** For further information, look in the output file
testjobs/h2o_select.errout
**** in the directory
*** Error code 1 (bu21) (ignored)


The ouput file testjobs/h2o_select.errout contains this message:

LABEL *   H2O, MRCI WITH SELECTED REFERENCE CONFIGURATIONS

 IRIX64-6.5/sgi12(IP30)    32 bit Version
 DATE:  15-Oct-01         TIME: 18:11:33
 
****************************************************************************
***********
*******************************************

 Installed patches: alphaconf2 alphalinux1 aug_cc_pvtz basisinput bccd
casvb1
                    cc_libmol ccsdt2 cicon-fix citation citrdm citrdm_alpha2
                    configure cray cray2 crayf902 craysv1 decfci
                    dft_opt doc3 dtraffix expec2 fciopt fix631g3
                    fujitsu fujitsuf90 fujitsunew2 fujitsuvec getmachine1
hfopen
                    ibm_license ibmconfg1 ibmconfg2 intface libmolc2
licence_dec3
                    licenser-dec2 linuxeom1 masses4 mckinley mudet mxs
                    nrstrc nufcpu openmp optconical parse3 primepower2
                    procedures2 rhffreq1 sgiconf1 srcmakepath1 table
tripudec

 
****************************************************************************
***********
*******************************************


 SETTING R              =         1.85000000
 SETTING THETA          =       104.00000000
 SETTING BASIS          =    VDZ
Failure in attempting memory allocation of -2147325647 words (-16382 Mbyte)
This error has been generated by the operating system,
and may be the result of insufficient system memory or paging space
In order to avoid the problem in the MOLPRO context,
consider also reducing the requested memory through
the MEMORY input command, or the -m command line option
gmainv1 failure to allocate -2147325644

 ERROR EXIT


 
****************************************************************************
***********
*******************************************
 insufficient memory available - require            9 have            0
 the request was for real words

 ERROR EXIT

 RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST

 EMERGENCY STOP
h2o_select.test: ERRORS DETECTED: non-zero return code ... inspect output






This machine has 8G of RAM.  It seems that this test program is failing in
an attempt to allocate 16G of memory.  Is this normal?  Can anyone shed some
light on what is happening here?


Thank you,

Terry Echiverri
Senior Systems Programmer
Information Technology Services
Southern Methodist University
214-768-2499




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