Thanks for your answer, Dan. It looks like extracting Amber11 and
AmberTools 1.5 into the same directory tree before building AmberTools
triggered the problem. Detailed comments below.
On 11/02/2011 03:41 AM, Daniel Roe wrote:
> Hi,
>
> Just a quick question; were you configuring/building AmberTools from a
> clean directory? If not, did you do a 'make clean' before 'make
> install'?
I was "playing around" a lot, but always invoked `make clean` before
`make serial` (which is the suggested make command by the configure script).
In fact -- and this paragraph is a totally different topic now --
inbetween I ran into some trouble with a "wrong"
AmberTools/src/sff/lex.mm_options.c file as described here:
http://archive.ambermd.org/201110/0165.html. That happened after the
first successful build of netcdf and I am pretty sure that I cleaned
before. Renaming the file solved the problem.
The wrong libnetcdf build definitely had something to do with the
extraction of AmberTools 1.5 and Amber 11 in the same directory tree
*before* building AmberTools. I just did a fresh AmberTools directory:
1) extract AmberTools
2) set AMBERHOME
3) bugfix.all
4) configure gnu
5) make serial
This builds libnetcdf correctly.
During this build using GNU compilers, I experienced the safemem.f issue
described here: http://archive.ambermd.org/201110/0418.html. To answer
Jason's question in this mail: In my opinion this is worth a bugfix.
Including that fix, AmberTools 1.5 was built properly.
> It seems that (as you say) the library is not being generated
> correctly on your system. I've been able to successfully build the
> netcdf version that comes with AmberTools using both gnu 4.6 and intel
> 12 compilers. It may be that the issue has to do with the tools used
> to generate the library itself. What versions of 'ar' and 'ranlib' do
> you have?
Although this shouldn't matter anymore now:
GNU ar (GNU Binutils for Ubuntu) 2.20.1-system.20100303
GNU ranlib (GNU Binutils for Ubuntu) 2.20.1-system.20100303
> Other than that, would you mind sending me the
> $AMBERHOME/AmberTools/src/netcdf_config.log that is generated after
> you run './configure' on your system with the original AmberTools
> netcdf (i.e. not the one you downloaded and installed manually).
> Thanks!
To get this configuration log for the build of libnetcdf that does *not*
work, I've used the "old" sources of libnetcdf again, `make clean`ed,
`./configure gnu`ed and `make serial`ed in $AMBERHOME/AmberTools/src,
while $AMBERHOME was the directory tree containing both AmberTools 1.5
and Amber 11 (both bugfixed). `make serial` failed again due to an
invalid libnetcdf.a.
You find the corresponding failed_netcdf_makelog and
failed_netcdf_config.log attached to this mail. I had checked the
configure log before and it looked good to me.
It looks like I've done things in the "wrong" order, although I was
reading (not understanding?) the PDF manuals while setting things up.
What is the canonical way of building AmberTools and Amber 11? I have
the feeling that the PDF manual did not tell me that I must not extract
Amber11 into the AMBERHOME directory tree before building AmberTools.
I did it this way:
1) extract AT1.5
2) set AMBERHOME
3) bugfixes to AT1.5
4) extract Amber11 to same directory tree
5) applied bugfixes to Amber11
6) configure/make in $AMBERHOME/AmberTools/src
In step 6, libnetcdf build failed.
Currently, I'm compiling a lonely AmberTools 1.5 with Intel compilers.
Then, I will add Amber 11 to that directory tree, patch it and proceed..
Jan-Philip
>
> -Dan
>
> On Tue, Nov 1, 2011 at 4:45 PM, Jan-Philip Gehrcke
> <jgehrcke.googlemail.com> wrote:
>> Hey,
>>
>> on Ubuntu 10.04, I have the same problem building ptraj with NetCDF
>> support as described in these threads:
>>
>> http://archive.ambermd.org/201004/0680.html
>> http://archive.ambermd.org/201106/0731.html
>>
>> The error for me looks like:
>>
>> icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o ncgen main.o load.o
>> ncgentab.o escapes.o getfill.o init.o genlib.o
>> ../libsrc/.libs/libnetcdf.a
>> ../libsrc/.libs/libnetcdf.a(attr.o): In function `nc_put_att_text':
>> attr.c:(.text+0x179a): undefined reference to `ncx_pad_putn_text'
>>
>> and many more of "undefined references".
>>
>> > nm libnetcdf.a | grep ncx_pad_putn_text
>> > U ncx_pad_putn_text
>> > U ncx_pad_putn_text
>>
>> This shows that libnetcdf.a has been built with undefined symbols like
>> `ncx_pad_putn_text`. I've reproduced this by running configure/make in
>> the AmberTools/src/netcdf/src directory. `configure --disable-utils`
>> deactivates the `ncgen` compilation which works around the problem.
>> However, during make of AmberTools, libnetcdf.a is used in different
>> contexts and therefore `--disable-utils`` does not help for building
>> AmberTools.
>>
>> I think that libnetcdf.a is somehow built wrong on "newer" systems. What
>> do you suggest? Could you even switch to a newer version of the NetCDF
>> library in AmberTools? I will try building a newer version of
>> libnetcdf.a and see if AmberTools builds against it...
>>
>> Any hint is appreciated!
>>
>> Jan-Philip
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
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Received on Wed Nov 02 2011 - 04:00:03 PDT
