CCL: gamess (not gaussian) compile problem



 Sent to CCL by: Steve Williams [willsd|-|appstate.edu]
 
I have compiled gamess on a single processor opteron machine running suse 10 linux; compile was done with version 6.1 of the pgi compiler suite, following the directions on the pgi website for tuning gamess. I used the blas not acml libraries (had to move them to get link step to work) and ended up with ddikick.x and gamess.00.x executables. I got many replicate errors from using the runall test to test all 37 sample inputs, so tried to just run one of the samples. With the sample input in the main gamess directory I tried the following to do a simple test:
 ./rungms exam01
 And I got the following results: (went to stdout...)
 hostname: Unknown host
 hostname: Unknown host
 ----- GAMESS execution script -----
 This job is running on host ip-152010150166
 under operating system Linux at Sat Jan 21 15:11:49 EST 2006
 Available scratch disk space (Kbyte units) at beginning of the job is
 Filesystem           1K-blocks      Used Available Use% Mounted on
 /dev/sda3            243080064  11528520 231551544   5% /
 cp exam01.inp /usr/local/apps/gamess/gamess/willsd/exam01.F05
 unset echo
 setenv ERICFMT /usr/local/apps/gamess/gamess/ericfmt.dat
 setenv EXTBAS /dev/null
 setenv IRCDATA /usr/local/apps/gamess/gamess/scr/exam01.irc
 setenv INPUT /usr/local/apps/gamess/gamess/willsd/exam01.F05
 setenv PUNCH /usr/local/apps/gamess/gamess/scr/exam01.dat
 setenv AOINTS /usr/local/apps/gamess/gamess/willsd/exam01.F08
 setenv MOINTS /usr/local/apps/gamess/gamess/willsd/exam01.F09
 setenv DICTNRY /usr/local/apps/gamess/gamess/willsd/exam01.F10
 setenv DRTFILE /usr/local/apps/gamess/gamess/willsd/exam01.F11
 setenv CIVECTR /usr/local/apps/gamess/gamess/willsd/exam01.F12
 setenv CASINTS /usr/local/apps/gamess/gamess/willsd/exam01.F13
 setenv CIINTS /usr/local/apps/gamess/gamess/willsd/exam01.F14
 setenv WORK15 /usr/local/apps/gamess/gamess/willsd/exam01.F15
 setenv WORK16 /usr/local/apps/gamess/gamess/willsd/exam01.F16
 setenv CSFSAVE /usr/local/apps/gamess/gamess/willsd/exam01.F17
 setenv FOCKDER /usr/local/apps/gamess/gamess/willsd/exam01.F18
 setenv WORK19 /usr/local/apps/gamess/gamess/willsd/exam01.F19
 setenv DASORT /usr/local/apps/gamess/gamess/willsd/exam01.F20
 setenv DFTINTS /usr/local/apps/gamess/gamess/willsd/exam01.F21
 setenv DFTGRID /usr/local/apps/gamess/gamess/willsd/exam01.F22
 setenv JKFILE /usr/local/apps/gamess/gamess/willsd/exam01.F23
 setenv ORDINT /usr/local/apps/gamess/gamess/willsd/exam01.F24
 setenv EFPIND /usr/local/apps/gamess/gamess/willsd/exam01.F25
 setenv PCMDATA /usr/local/apps/gamess/gamess/willsd/exam01.F26
 setenv PCMINTS /usr/local/apps/gamess/gamess/willsd/exam01.F27
 setenv MLTPL /usr/local/apps/gamess/gamess/willsd/exam01.F28
 setenv MLTPLT /usr/local/apps/gamess/gamess/willsd/exam01.F29
 setenv DAFL30 /usr/local/apps/gamess/gamess/willsd/exam01.F30
 setenv SOINTX /usr/local/apps/gamess/gamess/willsd/exam01.F31
 setenv SOINTY /usr/local/apps/gamess/gamess/willsd/exam01.F32
 setenv SOINTZ /usr/local/apps/gamess/gamess/willsd/exam01.F33
 setenv SORESC /usr/local/apps/gamess/gamess/willsd/exam01.F34
 setenv SIMEN /usr/local/apps/gamess/gamess/scr/exam01.simen
 setenv SIMCOR /usr/local/apps/gamess/gamess/scr/exam01.simcor
 setenv GCILIST /usr/local/apps/gamess/gamess/willsd/exam01.F37
 setenv HESSIAN /usr/local/apps/gamess/gamess/willsd/exam01.F38
 setenv SOCCDAT /usr/local/apps/gamess/gamess/willsd/exam01.F40
 setenv AABB41 /usr/local/apps/gamess/gamess/willsd/exam01.F41
 setenv BBAA42 /usr/local/apps/gamess/gamess/willsd/exam01.F42
 setenv BBBB43 /usr/local/apps/gamess/gamess/willsd/exam01.F43
 setenv MCQD50 /usr/local/apps/gamess/gamess/willsd/exam01.F50
 setenv MCQD51 /usr/local/apps/gamess/gamess/willsd/exam01.F51
 setenv MCQD52 /usr/local/apps/gamess/gamess/willsd/exam01.F52
 setenv MCQD53 /usr/local/apps/gamess/gamess/willsd/exam01.F53
 setenv MCQD54 /usr/local/apps/gamess/gamess/willsd/exam01.F54
 setenv MCQD55 /usr/local/apps/gamess/gamess/willsd/exam01.F55
 setenv MCQD56 /usr/local/apps/gamess/gamess/willsd/exam01.F56
 setenv MCQD57 /usr/local/apps/gamess/gamess/willsd/exam01.F57
 setenv MCQD58 /usr/local/apps/gamess/gamess/willsd/exam01.F58
 setenv MCQD59 /usr/local/apps/gamess/gamess/willsd/exam01.F59
 setenv MCQD60 /usr/local/apps/gamess/gamess/willsd/exam01.F60
 setenv MCQD61 /usr/local/apps/gamess/gamess/willsd/exam01.F61
 setenv MCQD62 /usr/local/apps/gamess/gamess/willsd/exam01.F62
 setenv MCQD63 /usr/local/apps/gamess/gamess/willsd/exam01.F63
 setenv MCQD64 /usr/local/apps/gamess/gamess/willsd/exam01.F64
 setenv NMRINT1 /usr/local/apps/gamess/gamess/willsd/exam01.F61
 setenv NMRINT2 /usr/local/apps/gamess/gamess/willsd/exam01.F62
 setenv NMRINT3 /usr/local/apps/gamess/gamess/willsd/exam01.F63
 setenv NMRINT4 /usr/local/apps/gamess/gamess/willsd/exam01.F64
 setenv NMRINT5 /usr/local/apps/gamess/gamess/willsd/exam01.F65
 setenv NMRINT6 /usr/local/apps/gamess/gamess/willsd/exam01.F66
 setenv DCPHFH2 /usr/local/apps/gamess/gamess/willsd/exam01.F67
 setenv DCPHF21 /usr/local/apps/gamess/gamess/willsd/exam01.F68
 setenv GVVPT /usr/local/apps/gamess/gamess/willsd/exam01.F69
 unset echo
 
/usr/local/apps/gamess/gamess/ddikick.x /usr/local/apps/gamess/gamess/gamess.00.x exam01 -ddi 1 1 ip-152010150166 -scr /usr/local/apps/gamess/gamess/willsd
 Distributed Data Interface kickoff program.
 Initiating 1 compute processes on 1 nodes to run the following command:
 /usr/local/apps/gamess/gamess/gamess.00.x exam01
 Error: Gethostbyname(ip-152010150166) returned HOST_NOT_FOUND.
 ddikick.x: Fatal error detected.
 The error is most likely to be in the application, so check for
 input errors, disk space, memory needs, application bugs, etc.
 ddikick.x will now clean up all processes, and exit...
 ddikick.x: No DDI processes to kill.
 ddikick.x: Execution terminated due to error(s).
 unset echo
 ----- accounting info -----
 Sat Jan 21 15:11:50 EST 2006
 Files used on the master node ip-152010150166 were:
 
-rw-r--r-- 1 willsd users 1086 2006-01-21 15:11 /usr/local/apps/gamess/gamess/willsd/exam01.F05
 0.356u 0.068s 0:01.43 28.6%     0+0k 0+0io 0pf+0w
 
It lloks like most of the script works, since all of the env variables seem to be set, although the two unknown host messages at the top are disturbing.
 All seems ok until the .... run the following command part.
 
Can anyone tell me what the fatal Gethostbyname error is caused by, and better still, how to fix it? I'm really looking forward to doing some 64 bit computing at my desk for the first time!
 Thanks,
 Steve Williams