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Error with linking NBO6 with Gamess

PostPosted: Fri Feb 09, 2018 3:03 am
by adebayo
Dear all,

Greetings.

I am trying to compile Gamess latest version R3 with the 64 bits binary of nbo6 "gmsnbo.i8.a" but it is giving the wrror message:

Linker messages (if any) follow...
/usr/bin/ld: i386 architecture of input file `/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(gmsnbo.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(keylist.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(mpi.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(nbhost.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(utils.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(ffinp.o)' is incompatible with i386:x86-64 output
/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(gmsnbo.o): In function `nboneei_':
gmsnbo.for:(.text+0x3583): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x377d): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x37cf): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x3834): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x38aa): undefined reference to `__divdi3'
/home/adebayo/Programs/nbo6/bin/gmsnbo.i8.a(gmsnbo.o):gmsnbo.for:(.text+0x3905): more undefined references to `__divdi3' follow
collect2: error: ld returned 1 exit status

What could be responsible for this error.

Thanks.

Kind regards,

Re: Error with linking NBO6 with Gamess

PostPosted: Wed Feb 14, 2018 10:05 am
by ericg
I suspect that you're not using the most recent distribution of NBO6. Download it and try again.

Eric

Re: Error with linking NBO6 with Gamess

PostPosted: Thu Feb 15, 2018 1:02 pm
by adebayo
Thanks Ericg for your response.

I have downloaded the latest version and replaced the old one and yet when it gets to linking nbo with games it gives error that shows it is 32 bits instead of 64 bit that I actually downloaded.

Here is the error I got again:

Linker messages (if any) follow...
/usr/bin/ld: i386 architecture of input file `/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(gmsnbo.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(keylist.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(mpi.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(nbhost.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(utils.o)' is incompatible with i386:x86-64 output
/usr/bin/ld: i386 architecture of input file `/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(ffinp.o)' is incompatible with i386:x86-64 output
/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(gmsnbo.o): In function `nboneei_':
gmsnbo.for:(.text+0x3583): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x377d): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x37cf): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x3834): undefined reference to `__divdi3'
gmsnbo.for:(.text+0x38aa): undefined reference to `__divdi3'
/home/aadeniyi/work/bin/nbo6/bin/gmsnbo.i8.a(gmsnbo.o):gmsnbo.for:(.text+0x3905): more undefined references to `__divdi3' follow
collect2: error: ld returned 1 exit status

Unfortunately, there was an error while linking GAMESS.
0.726u 5.874s 0:07.61 86.5% 0+0k 29824+170488io 0pf+0

Re: Error with linking NBO6 with Gamess

PostPosted: Fri Feb 16, 2018 7:54 pm
by ericg
Check that you're using the most recent NBO6 distribution. I doubt that you are.

The error message refers to a routine, nboneei(), that was part of the GAMESS/NBO interface though March 2017. It was eliminated starting with the June 2017 distribution. I believe that the distribution you're are linking to is at least a year old.

Eric

Re: Error with linking NBO6 with Gamess

PostPosted: Fri Feb 16, 2018 10:45 pm
by adebayo
I guess is the latest version I am using. Here is the information on the NBO6 download page using the link provided for us when we paid:

Item Name Download Release Date
NBO 6.0 for Linux (x86) Site License Download Wed Jan 3 14:16:13 CST 2018

Re: Error with linking NBO6 with Gamess

PostPosted: Sat Feb 17, 2018 9:10 pm
by ericg
Ahh.. Sorry about that. The x86 distribution is no longer being updated. Contact tcinbo@chem.wisc.edu and request a change in your license to x86_64.

Eric

Re: Error with linking NBO6 with Gamess

PostPosted: Thu Feb 22, 2018 4:33 am
by adebayo
Dear Eric,

Thanks for the information. I tried contacting the email you sent to me, I wonder what is happening to the email: tcinbo@chem.wisc.edu .

We have been trying to get response from it, all the mails sent to it even before I posted the error on the forum never got any response.

Can you please provide me another email I can possibly contact?

Thanks.

Kind regards,

Re: Error with linking NBO6 with Gamess

PostPosted: Tue Feb 27, 2018 5:16 pm
by ericg
Have you had a response yet from tcinbo@chem.wisc.edu? If not, please contact me by e-mail at glendening@indstate.edu.

Eric