AMBER Archive (2006)

Subject: Re: AMBER: amber 8 install problem

From: qiwenpeng_at_sinap.ac.cn
Date: Wed Mar 15 2006 - 08:27:00 CST

Dear David,

The wallclock is ok, when I add -DF90_TIMER to your AMBERBUILDFLAGS

But there is a another problem

cd ptraj; make install
make[1]: Entering directory `/storage/SAN/st05/E800A/home/user/siap/qwp/test_amb
er/amber8/src/ptraj'
pgcc -c -O2 -Mcache_align -DF90_TIMER -DF90_TIMER -o main.o main.c
"ptraj_local.h", line 115: error: expected an operator
    int operator;
                ^

"pdb/pdb.h", line 217: error: invalid combination of type specifiers
        char class[41];
                        ^

"pdb/pdb.h", line 217: error: expected either a definition or a tag name
        char class[41];
                             ^

"pdb/pdb.h", line 226: error: invalid combination of type specifiers
        int class;
                        ^

"pdb/pdb.h", line 226: error: expected either a definition or a tag name
        int class;
                             ^

"main.c", line 179: error: identifier "exit" is undefined
    exit(0);
    ^

6 errors detected in the compilation of "main.c".
make[1]: *** [main.o] Error 2
make[1]: Leaving directory `/storage/SAN/st05/E800A/home/user/siap/qwp/test_ambe
r/amber8/src/ptraj'
make: *** [serial] Error 2

What's the problem?

Thank you!

Best Regards

Qi wenpeng

----- Original Message -----
From: "David A. Case" <case_at_scripps.edu>
To: <amber_at_scripps.edu>
Sent: Tuesday, March 14, 2006 2:44 AM
Subject: Re: AMBER: amber 8 install problem

> On Mon, Mar 13, 2006, qiwenpeng_at_sinap.ac.cn wrote:
>>
>> I want to install the amber on a opteron cluster.
>> I have the pgf90-6.0 and get the new configure files for amber8.
>> But there is a problem
>>
>> trace.o(.text+0x1ab): In function `trace_trace_enter_':
>> : undefined reference to `wallclock_'
>
> If you know a little bit about the how the linker works, you can
> do "nm $AMBERHOME/src/lib/wallclock.o" to see what symbols wallclock.o
> is exporting, then try to figure out how to get it to agree with what
> pgf90 wants.
>
> An alternative is to add -DF90_TIMER to your AMBERBUILDFLAGS (in config.h),
> then recompile.
>
> ...good luck...dac
>
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