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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