compile error of v3.2.2-rev.5

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message

compile error of v3.2.2-rev.5

Postby sdwang » Thu Oct 07, 2010 11:34 am

I compile yambo-3.2.2-rev.5 in my linux clusters with: ./configure --with-iotk=/home/sdwang/espresso-4.1.2/iotk/ --with-p2y=4.0 --with-mpi=yes FC=mpif90, it works well and apperas:
[VER] 3.2.2 r.633
#
# [SYS] linux@x86_64
# [SRC] /home/sdwang/yambo-3.2.2-rev.5
# [BIN] /home/sdwang/yambo-3.2.2-rev.5/bin
# [FFT] Goedecker Fast Fourier transform with 0 cache
#
# [ ] Double precision
# [X] Redundant compilation
# [X] MPI
# [X] PW (4.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] LibXC
# [ ] NETCDF/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
#
# [ CPP ] gcc -E -P
# [ C ] gcc -g -O2 -D_C_US -D_FORTRAN_US
# [MPICC] mpicc -g -O2 -D_C_US -D_FORTRAN_US
# [ F90 ] mpif90 -O
# [MPIF ] mpif90 -O
# [ F77 ] mpif90 -O
# [Cmain]
# [NoOpt] -O0
#
# [ MAKE ] make
# [EDITOR] vim


But when I type "make all",the error as following:
>>>[Linking yambo]<<<
make[1]: Entering directory `/home/sdwang/yambo-3.2.2-rev.5/driver'
if test ! -f __lock && test "yes" = "no" ; then find . \( -name '*.o' -o -name '*.mod' -o -name '__*' \) | xargs rm -f ; touch __lock; fi
if test "yes" = "yes"; then "/home/sdwang/yambo-3.2.2-rev.5"/sbin/objects_debug.sh __lock; fi
if test -f /home/sdwang/yambo-3.2.2-rev.5/driver/yambo.h; then gcc -E -P -D_MPI -D_linux /home/sdwang/yambo-3.2.2-rev.5/driver/yambo.h > /home/sdwang/yambo-3.2.2-rev.5/driver/yambo_cpp.h; fi
if test -f /home/sdwang/yambo-3.2.2-rev.5/driver/ypp.h; then gcc -E -P -D_MPI -D_linux /home/sdwang/yambo-3.2.2-rev.5/driver/ypp.h > /home/sdwang/yambo-3.2.2-rev.5/driver/ypp_cpp.h; fi
( eval gcc -g -O2 -D_C_US -D_FORTRAN_US -c /home/sdwang/yambo-3.2.2-rev.5/driver/getopt.c > /dev/null)
if test "yes" = ""; then gcc -g -O2 -D_C_US -D_FORTRAN_US -D_MPI -D_linux -D_yambo -c /home/sdwang/yambo-3.2.2-rev.5/driver/driver.c; fi
if test ! "yes" = ""; then mpicc -g -O2 -D_C_US -D_FORTRAN_US -D_MPI -D_linux -D_yambo -c /home/sdwang/yambo-3.2.2-rev.5/driver/driver.c; fi
rm -f /home/sdwang/yambo-3.2.2-rev.5/driver/yambo_cpp.h /home/sdwang/yambo-3.2.2-rev.5/driver/ypp_cpp.h

(eval mpif90 -O -I /home/sdwang/yambo-3.2.2-rev.5/include -o yambo driver.o getopt.o yambo_driver.o -L/home/sdwang/yambo-3.2.2-rev.5/lib -lbse -lqp -lpol_function -ltddft -linterface -lsetup -lqp_ctl -lbz_ops -lcoulomb -lwf_and_fft -lio -lcommon -lcommunicate -lparser -lxc_functionals -lmodules -lexternal_c -llapack -lblas -lslatec -lm ) > /dev/null
driver.o(.text+0x4b0): In function `main':
/home/sdwang/yambo-3.2.2-rev.5/driver/driver.c:98: multiple definition of `main'
/usr/local/intel/fce/9.0/lib/for_main.o(.text+0x0): first defined here
ld: Warning: size of symbol `main' changed from 70 in /usr/local/intel/fce/9.0/lib/for_main.o to 2985 in driver.o
/usr/local/intel/fce/9.0/lib/for_main.o(.text+0x2e): In function `main':
: undefined reference to `MAIN__'
make[1]: *** [yambo] Error 1
make[1]: Leaving directory `/home/sdwang/yambo-3.2.2-rev.5/driver'
make: *** [yambo] Error 2

What the error means?

Thanks!
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S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn
sdwang
 
Posts: 209
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Re: compile error of v3.2.2-rev.5

Postby myrta gruning » Fri Oct 08, 2010 3:07 pm

Dear Shudong Wang

Try not to specify the FC. By specifying it the configure script is not recognizing that you are using the intel compiler and not properly setting the [Cmain] (that for fortran should be -nofor_main)
In principle
./configure --with-iotk=/home/sdwang/espresso-4.1.2/iotk/ --with-p2y=4.0

should work, detecting mpi is available, enabling the mpi and setting automatically the correct FC and all the options.

Regards,
Myrta
Dr Myrta GrĂ¼ning
Atomistic Simulation Centre
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009
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Re: compile error of v3.2.2-rev.5

Postby sdwang » Sat Oct 09, 2010 1:44 am

Dear myrta gruning:
Thanks your reply!
When I type ./configure --with-iotk=/home/sdwang/espresso-4.1.2/iotk/ --with-p2y=4.0, the error is
checking how to get verbose linking output from gfortran... configure: WARNING: compilation failed

checking for Fortran libraries of gfortran...
checking for dummy main to link with Fortran libraries... none
checking for Fortran name-mangling scheme... configure: error: in `/home/sdwang/yambo-3.2.2-rev.5':
configure: error: cannot compile a simple Fortran program
See `config.log' for more details.

But I have installed v-3.2.1 and there is no such error.Why?
S D Wang
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S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn
sdwang
 
Posts: 209
Joined: Fri Apr 09, 2010 12:30 pm

Re: compile error of v3.2.2-rev.5

Postby myrta gruning » Mon Oct 11, 2010 5:20 pm

sdwang wrote:When I type ./configure --with-iotk=/home/sdwang/espresso-4.1.2/iotk/ --with-p2y=4.0, the error is
checking how to get verbose linking output from gfortran... configure: WARNING: compilation failed

Dear Shudong Wang,

try to add
FC=ifort
if you have also icc installed, specify also
CC=icc

sdwang wrote:
But I have installed v-3.2.1 and there is no such error.Why?

mmhh... I do not know. I will check if something changed in the autoconf.
In the meanwhile specifying FC=ifort should do the work.

Regards,
Myrta
Dr Myrta GrĂ¼ning
Atomistic Simulation Centre
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009
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