CCL: gamess (not gaussian) compile problem
- From: Steve Williams <willsd++appstate.edu>
- Subject: CCL: gamess (not gaussian) compile problem
- Date: Sat, 21 Jan 2006 15:28:15 -0500
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