Hi,
Ok, but what is the result of running on your original workstation
this command:
/usr/local/software/amber16/bin/to_be_dispatched/antechamber
The result on your other workstation is the expected result.
what is the OS on your other workstation ?
scott
On Tue, Jan 23, 2018 at 09:27:41PM +0000, Yuan Hu wrote:
> I think that may be some library file got overwritten by other programs. I tried to reinstall amber16, but it didn't solve the problem.
> I copied the compiled antechamber executable in "../to_be_dispatched/antechamber" to another workstation which doesn't have amber installed. It can print out welcome message.
>
> $./antechamber
>
> Welcome to antechamber 17.3: molecular input file processor.
>
> ./antechamber: Fatal Error!
> AMBERHOME is not set.
>
> -----Original Message-----
> From: Scott Brozell [mailto:sbrozell.rci.rutgers.edu]
> Sent: Tuesday, January 23, 2018 3:12 PM
> To: AMBER Mailing List
> Cc: Yuan Hu
> Subject: EXT: Re: [AMBER] Amber16 installation: Segmentation fault (core dumped) error when execute antechamber
>
> Why do you think anaconda3 is the problem ?
>
> PLease enter this command:
> /usr/local/software/amber16/bin/to_be_dispatched/antechamber
>
> If it seg faults then it is clear that the problem is antechamber (or some antechamber specific OS preamble).
>
> I do not have problems with:
> gcc version 4.8.5 (GCC)
> Red Hat Enterprise Linux Server release 6.9 (Santiago)
>
> scott
>
> On Tue, Jan 23, 2018, Yuan Hu wrote:
> > I'm trying to install Amber16 with AmberTools17 with the following command.
> > ./configure --python-install local --with-python /usr/bin/python2.7
> > gnu My workstation is using Red Hat Enterprise Linux Server release 7.2 (Maipo).
>
> On Tue, Jan 23, 2018 at 06:41:28AM +0000, Yuan Hu wrote:
> >
> > Thanks for the reply. I will answer your questions in line.
> > I think there may be some interfering with anaconda3. Please see more details in question 4.
> >
> > 1. What is the result of typing "gcc --version"?
> >
> > gcc (GCC) 4.8.5 20150623 (Red Hat 4.8.5-16)
> >
> > 2. Do programs not from the antechamber directory work OK? What
> > happens if you type "make test" in the $AMBERHOME directory? [You can
> > hit control-C if all the tests appear to be failing...no need to wait
> > for thousands of error messages....; on the other hand, it might be
> > that non-antehcamber tests generally pass, and that would be good
> > information to know.]
> >
> > Yes, other programs work fine. I went through all the programs in the $AMBERHOME/bin, all the failed programs are from antechamber directory. Interestingly, several tools in that folder are fine, such as bondtype, database, espgen, match, parmcal.
> > Here is the "make test" result, the errors in the log file are attached to the end.
> >
> > make[1]: Leaving directory `/usr/local/software/amber16/AmberTools/test'
> > 1993 file comparisons passed
> > 18 file comparisons failed
> > 16 tests experienced errors
> > Test log file saved as
> > /usr/local/software/amber16/logs/test_at_serial/2018-01-22_23-56-27.lo
> > g
> > No test diffs to save!
> >
> > 3. Did you source the $AMBERHOME/amber.sh file in the terminal session that is failing?
> >
> > Yes. I sourced $AMBERHOME/amber.sh
> >
> > 4. Do you have older versions of amber on your machine that might somehow be interfering?
> >
> > I don't have older versions of AMBER on the machine, but I found the same antechamber and other AmberTool programs in /usr/local/software/anaconda3/bin/. The anaconda3 was installed after I built AMBER.
> > Something I want to mention, I installed AMBER16 first, and did a quick test of antechamber. it works fine right after the installation. Then I installed anaconda3 to install openmm, pdbfixer, lomap and yank. After those installations, I tested antechamber again, and fount it broken.
> > I tried to remove anacoda3 from my $PATH, $LD_LIBRARY_PATH, $PYTHONPATH, but got no luck to make antechamber work.
> > $echo $PATH
> > /usr/local/software/amber16/bin::/usr/local/bin:/usr/bin:/usr/local/sb
> > in:/usr/sbin:/usr/local/cuda-8.0/bin
> >
> > $echo $LD_LIBRARY_PATH
> > /usr/local/software/amber16/lib:/usr/lib64:/usr/lib:/usr/local/lib:/li
> > b:/usr/local/cuda-8.0/lib64/:/usr/lib64/openmpi/lib:/usr/local/cuda/li
> > b64
> >
> > $echo $PYTHONPATH
> > /usr/lib64/python2.7/site-packages:/usr/lib/python2.7/site-packages:/u
> > sr/local/software/amber16/lib/python2.7/site-packages
> >
> > $antechamber
> > /usr/local/software/amber16/bin/antechamber: line 4: 7113 Segmentation fault (core dumped) $AMBERHOME/bin/to_be_dispatched/antechamber "$."
> >
> >
> > -Yuan
> >
> > Errors in the "make test" log file:
> > make[2]: Entering directory `/usr/local/software/amber16/AmberTools/test/antechamber'
>
> ... removed - all show as above, ie: Segmentation fault
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Received on Tue Jan 23 2018 - 16:30:01 PST
