Hi,
I have not followed the entire discussion so I might be completely
wrong, I might be fill in some gaps.
> Firstly, including config.h inside the fortran .F kernel files for power6 is
> causing problems with
> their parsing using xlf. adding -WF,-qfpp didn't help. Had to provide a
> modified x
Hi,
On 9/13/11 4:27 PM, Mark Abraham wrote:
On 14/09/2011 12:20 AM, Marcin Zielinski wrote:
Ok,
Using -DGMX_ACCELERATION=Power6 brings a plethora of new errors
during the compilation.
Firstly, including config.h inside the fortran .F kernel files for
power6 is causing problems with
their p
On 14/09/2011 12:20 AM, Marcin Zielinski wrote:
Ok,
Using -DGMX_ACCELERATION=Power6 brings a plethora of new errors during
the compilation.
Firstly, including config.h inside the fortran .F kernel files for
power6 is causing problems with
their parsing using xlf. adding -WF,-qfpp didn't help
Ok,
Using -DGMX_ACCELERATION=Power6 brings a plethora of new errors during
the compilation.
Firstly, including config.h inside the fortran .F kernel files for
power6 is causing problems with
their parsing using xlf. adding -WF,-qfpp didn't help. Had to provide a
modified xlf.cfg config file
Hi Mark,
I can confirm that the fix works.
Setting -DGMX_ACCELERATION=Power6 sets to these
/* Define to a macro mangling the given C identifier (in lower and upper
case), which must not contain underscores, for linking with Fortran. */
#define F77_FUNC(name,NAME) name
/* As F77_FUNC, but
On 9/09/2011 10:01 PM, Marcin Zielinski wrote:
Ok, giving -DGMX_ACCELERATE=Power6 results with:
src/config.h
/* Define to a macro mangling the given C identifier (in lower and upper
case), which must not contain underscores, for linking with
Fortran. */
#define F77_FUNC(name,NAME) name
Ok, giving -DGMX_ACCELERATE=Power6 results with:
src/config.h
/* Define to a macro mangling the given C identifier (in lower and upper
case), which must not contain underscores, for linking with Fortran. */
#define F77_FUNC(name,NAME) name ##
/* As F77_FUNC, but for C identifiers contain
On 9/09/2011 5:50 PM, Marcin Zielinski wrote:
Hi Mark,
Yes, GMX_ACCELERATION should do the trick, however it requires You to
turn off the THREADS.
Altho ppl tend to run the tools in serial anyway, I somehow sticked to
that.
Only mdrun takes advantage of parallelism in GROMACS up to now. So t
Hi Mark,
Yes, GMX_ACCELERATION should do the trick, however it requires You to
turn off the THREADS.
Altho ppl tend to run the tools in serial anyway, I somehow sticked to that.
As for the FindLAPACK.cmake fix, I'm pretty sure I has been posted here
some time ago. I googled it
anyhow.
Would
On 9/09/2011 1:46 AM, Marcin Zielinski wrote:
Hi there,
I've been having hard times the past days trying to build SP and DP
binaries
of GROMACS 4.5.4 on our Power6 system, here at SARA, using IBM XL
compilers,
LAPACK, BLAS, GSL and FFTW3.
At the end, I think I've succeeded and had to use two
Hi there,
I've been having hard times the past days trying to build SP and DP binaries
of GROMACS 4.5.4 on our Power6 system, here at SARA, using IBM XL compilers,
LAPACK, BLAS, GSL and FFTW3.
At the end, I think I've succeeded and had to use two dirty hacks to
avoid problems.
I'm waiting now
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