Hello again,
After the make test installation step, the log files tells that "3 file comparisons failed".
Below follows the .diff file in the "logs" folder:
possible FAILURE: check INPCRD/Aglycons.rst7.dif
/home/carlota/Amberteste/amber12/AmberTools/test/leap/glycam/06h
244c244
< 41.1451887 57.1823851 -0.0230486 42.1183072 55.7107589 -0.1443707
> 41.1451887 57.1823851 -0.0230485 42.1183072 55.7107588 -0.1443706
250c250
< 37.2131738 55.0983471 0.6557979 36.8620335 56.0260154 0.1990747
> 37.2131738 55.0983471 0.6557979 36.8620335 56.0260154 0.1990748
286c286
< 56.5010728 0.0636700 13.0935211 56.1131880 1.7516461 12.7362473
> 56.5010729 0.0636699 13.0935212 56.1131881 1.7516461 12.7362474
287c287
< 56.9457437 0.6872851 11.1707006 56.8585905 -0.1841751 10.7726988
> 56.9457438 0.6872850 11.1707007 56.8585905 -0.1841752 10.7726988
### Maximum absolute error in matching lines = 1.00e-07 at line 250 field 6
### Maximum relative error in matching lines = 4.34e-06 at line 244 field 3
---------------------------------------
possible FAILURE: check Rb.out.5.dif
/home/carlota/Amberteste/amber12/AmberTools/test/sas2test
143c143
< Norm of the constant vector: 117.0249163438
> Norm of the constant vector: 117.2479415082
144c144
< Norm of the residual vector: 0.0008971380771
> Norm of the residual vector: 0.0010436371770
145c145
< Convergence achieved : 7.6662142139444233E-6
> Convergence achieved : 8.9011130052130939E-6
147c147
< Etot = -92.3491 EKtot = 0. EPtot = 0.
> Etot = -90.9752 EKtot = 0. EPtot = 0.
150c150
< EELEC = 0. EPB = -92.3491 RESTRAINT = 0.
> EELEC = 0. EPB = -90.9752 RESTRAINT = 0.
156c156
< Etot = -92.3491 EKtot = 0. EPtot = 0.
> Etot = -90.9752 EKtot = 0. EPtot = 0.
159c159
< EELEC = 0. EPB = -92.3491 RESTRAINT = 0.
> EELEC = 0. EPB = -90.9752 RESTRAINT = 0.
### Maximum absolute error in matching lines = 1.37e+00 at line 147 field 3
### Maximum relative error in matching lines = 1.63e-01 at line 144 field 6
---------------------------------------
possible FAILURE: check IM.out.5.dif
/home/carlota/Amberteste/amber12/AmberTools/test/sas2test
143c143
< Norm of the constant vector: 117.0249163438
> Norm of the constant vector: 117.2479415082
144c144
< Norm of the residual vector: 0.0008971380771
> Norm of the residual vector: 0.0010436371770
145c145
< Convergence achieved : 7.6662142139444233E-6
> Convergence achieved : 8.9011130052130939E-6
147c147
< Etot = -92.3491 EKtot = 0. EPtot = 0.
> Etot = -90.9752 EKtot = 0. EPtot = 0.
150c150
< EELEC = 0. EPB = -92.3491 RESTRAINT = 0.
> EELEC = 0. EPB = -90.9752 RESTRAINT = 0.
156c156
< Etot = -92.3491 EKtot = 0. EPtot = 0.
> Etot = -90.9752 EKtot = 0. EPtot = 0.
159c159
< EELEC = 0. EPB = -92.3491 RESTRAINT = 0.
> EELEC = 0. EPB = -90.9752 RESTRAINT = 0.
### Maximum absolute error in matching lines = 1.37e+00 at line 147 field 3
### Maximum relative error in matching lines = 1.63e-01 at line 144 field 6
How can i solve this? Thanks in advance.
Best regards
Em Segunda-feira, 9 de Dezembro de 2013 20:27, Silvestre <sliverv2.yahoo.com.br> escreveu:
Dear Amber team and Igor,
I created a new directory without space, as you both suggested and it worked.
Thank you for your quickness!
Best Regards.
__
Silvestre Massimo Modestia
Em Segunda-feira, 9 de Dezembro de 2013 20:03, Jason Swails <jason.swails.gmail.com> escreveu:
> On Dec 9, 2013, at 4:18 PM, Silvestre <sliverv2.yahoo.com.br> wrote:
>
> Dear Amber Team,
>
> In the forth step of the Reference manual's installation the following error message appears:
>
> ERROR: AMBERHOME is expected to be but it is currently
> /home/carlota/Įrea de trabalho/Amber16/amber12/ This will cause problems!
> Configure failed due to the errors above!
Can you get rid of the spaces in the directory name? I will see if this is a problem and try to come up with a fix if it is. Also try to stick to ASCII characters, since several programming languages do not offer strong support
for Unicode character sets.
Quite a few unix programs have trouble dealing with file names containing white space and non-ASCII, so you should typically avoid this in folder and file names.
> As suggested by the manual, I set the amber home to amber12, yet the same appears. I already tried creating others folders following all the steps again, but the problem persists.
It always helps to give the full commands you used as well as their output. There is frequently a difference between what you really did and what you thought you did.
> My Operational system is Ubuntu and I already have Gromacs installed.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Dec 11 2013 - 13:00:03 PST
