I am trying to compile the G03 latest revision on a dual 64bit Xeon
box running SuSe9.1 without much luck.
Is there anyone who did this successfully?
Thanks in advance,
Robert
ps.: please read on for the error message from the compilation log file
ifort -i8 -mp -O2 -ipo -tp p7 -time -fast -g -o g03 ml0.o util.a bsd/libf77blas-xn64.a bsd/liblapack-xn64.a -lm -lc
IPO: WARNING: no IR in object file ml0.o; was the source file compiled with -ipo?
util.a(mdutil.o)(.text+0x1cd7): In function `guname_':
bsd/mdutil.c:1980: warning: Using 'getpwuid' in statically linked applications requires at runtime the shared libraries from
the glibc version used for linking
/usr/intel/lib/libifcore.a(for_open_proc.o)(.text+0x37dc): In function `for__compute_filename':
: warning: Using 'getpwnam' in statically linked applications requires at runtime the shared libraries from the glibc versio
n used for linking
ld: warning: i386:x86-64 architecture of input file `util.a(mdutil.o)' is incompatible with i386 output
ifort: error: Fatal error in ld, terminated by segmentation violation
box running SuSe9.1 without much luck.
Is there anyone who did this successfully?
Thanks in advance,
Robert
ps.: please read on for the error message from the compilation log file
ifort -i8 -mp -O2 -ipo -tp p7 -time -fast -g -o g03 ml0.o util.a bsd/libf77blas-xn64.a bsd/liblapack-xn64.a -lm -lc
IPO: WARNING: no IR in object file ml0.o; was the source file compiled with -ipo?
util.a(mdutil.o)(.text+0x1cd7): In function `guname_':
bsd/mdutil.c:1980: warning: Using 'getpwuid' in statically linked applications requires at runtime the shared libraries from
the glibc version used for linking
/usr/intel/lib/libifcore.a(for_open_proc.o)(.text+0x37dc): In function `for__compute_filename':
: warning: Using 'getpwnam' in statically linked applications requires at runtime the shared libraries from the glibc versio
n used for linking
ld: warning: i386:x86-64 architecture of input file `util.a(mdutil.o)' is incompatible with i386 output
ifort: error: Fatal error in ld, terminated by segmentation violation
連結已複製
5 回應
Dear Sir,
I have been able to compile G03RevB.04 using ifort 8.1. I changed mdutil.c, i386.make, l607.F and l9999.F.
I don't know if this files are the same in your revision. I could send them to me I can verify that my changes will still work.
Sincerely,
Dr. Rafael R. Pappalardo
Dept. Physical Chemistry, Fac. de Quimica, Univ. de Sevilla (Spain)
I have been able to compile G03RevB.04 using ifort 8.1. I changed mdutil.c, i386.make, l607.F and l9999.F.
I don't know if this files are the same in your revision. I could send them to me I can verify that my changes will still work.
Sincerely,
Dr. Rafael R. Pappalardo
Dept. Physical Chemistry, Fac. de Quimica, Univ. de Sevilla (Spain)
Dear Rafael-Pappalardo,
I was able to compile the code with the recommended PGF77 compiler, however the code's speed is worse than using a 32 bit P4 compiled version. I am working with some excellent support folks at Intel and will be close to the solution. I had to install a new ifort version and MKL libs which support the EMT64 memory.
I had to only modify the mdutil.c and ther makefile the rest compiled file. Once the compilation is done I will post a white paper on my website.
On the other hand I would appreciate if you email me the changes for the G03RevB.04 just for comparison.
Robert
I was able to compile the code with the recommended PGF77 compiler, however the code's speed is worse than using a 32 bit P4 compiled version. I am working with some excellent support folks at Intel and will be close to the solution. I had to install a new ifort version and MKL libs which support the EMT64 memory.
I had to only modify the mdutil.c and ther makefile the rest compiled file. Once the compilation is done I will post a white paper on my website.
On the other hand I would appreciate if you email me the changes for the G03RevB.04 just for comparison.
Robert
Dear Rafael-Pappalardo,
Would you mind sending me thefiles (mdutil.c, i386.make, l607.F and l9999.F) to make compilation of Gaussian03 with ifort 8.1 successfully?
I encountered a compilation failure at link l607. Thanks.
Kai-Chung
Could it be possible to share experience with you in order to compile gaussian on my linux machine ? makefile and files in which you did some modifications ?
Many thanks in advance. Regards,
Frdric
Please start with a saner setup, until you get it working. As one of the error messages tells you, you shouldn't try to mix non-ipo compilation with whole program ipo (implied by -fast).
Another error message points out that you are trying to mix 32- and 64-bit objects. That won't work. If you slip it by ld, your build will hang when you try to run. Apparently, you are using a 32-bit ifort, while attempting to link a 64-bit library. If you mean to perform a 64-bit build, you must use the ifort for em64t (the one with fce in the standard installation path).
You will probably have trouble with the lapack library you specified, as it may have been built for a different Fortran compiler (g77?). You would need to rebuild any such libraries, or substitute the appropriate Intel MKL version.
Another error message points out that you are trying to mix 32- and 64-bit objects. That won't work. If you slip it by ld, your build will hang when you try to run. Apparently, you are using a 32-bit ifort, while attempting to link a 64-bit library. If you mean to perform a 64-bit build, you must use the ifort for em64t (the one with fce in the standard installation path).
You will probably have trouble with the lapack library you specified, as it may have been built for a different Fortran compiler (g77?). You would need to rebuild any such libraries, or substitute the appropriate Intel MKL version.
