[Pw_forum] compiling on IBM PPC970

[Sergei Lisenkov]

Dear PWscf authors and users,

 I try to compile PW code on IBM PPC970 SMP cluster, using xlf90 fortran (8.1 version), gcc , essl library and mpich-1.2.5.2. The OS is Suse Linux. I use the Makefile for ibmsp configuration and made some changes. Because I have not any experience with IBM I have a problems.

First, I tried to compile the serial version. I got :

....
cdiaghg.o: In function `cdiaghg':
cdiaghg.o(.text+0x138): undefined reference to `ilaenv'
cdiaghg.o(.text+0x4b0): undefined reference to `zhegv'
cdiaghg.o(.text+0x59c): undefined reference to `zhegvx'
input.o: In function `verify_tmpdir':
input.o(.text+0x9930): undefined reference to `c_mkdir'
mix_pot.o: In function `mix_potential':
mix_pot.o(.text+0x110c): undefined reference to `dsytrf'
mix_pot.o(.text+0x118c): undefined reference to `dsytri'
mix_rho.o: In function `mix_rho':
mix_rho.o(.text+0x2f74): undefined reference to `dsytrf'
mix_rho.o(.text+0x2ff4): undefined reference to `dsytri'
mix_rho.o: In function `approx_screening2':
mix_rho.o(.text+0x93e0): undefined reference to `dsytrf'
mix_rho.o(.text+0x945c): undefined reference to `dsytri'
rdiaghg.o: In function `rdiaghg':
rdiaghg.o(.text+0x124): undefined reference to `ilaenv'
update_pot.o: In function `extrapolate_wfcs':
update_pot.o(.text+0x23d8): undefined reference to `zgesvd'
../Modules/berry_phase.o: In function `indi_of_ig':
../Modules/berry_phase.o(.text+0xcc): undefined reference to `ln_ind'
../Modules/berry_phase.o(.text+0x10c): undefined reference to `ln_ind'
../Modules/berry_phase.o(.text+0x14c): undefined reference to `ln_ind'
../Modules/berry_phase.o(.text+0x170): undefined reference to `ln_ind'
../Modules/berry_phase.o(.text+0x19c): undefined reference to `ln_ind'
../Modules/berry_phase.o(.text+0x20c): more undefined references to `ln_ind' follow
../Modules/berry_phase.o: In function `__berry_phase_MOD_berry_setup':
../Modules/berry_phase.o(.text+0x618): undefined reference to `ln_alloc'
../Modules/berry_phase.o(.text+0x660): undefined reference to `ln_set'
../Modules/berry_phase.o(.text+0x67c): undefined reference to `ln_activate'
../Modules/berry_phase.o(.text+0x2ddc): undefined reference to `ln_dealloc'
../Modules/parser.o: In function `__parser_MOD_p_err_l':
../Modules/parser.o(.text+0x248): undefined reference to `cpflush'
../Modules/parser.o: In function `__parser_MOD_p_err_s':
../Modules/parser.o(.text+0x4ac): undefined reference to `cpflush'
../Modules/parser.o: In function `__parser_MOD_p_err_r':
../Modules/parser.o(.text+0x710): undefined reference to `cpflush'
../Modules/parser.o: In function `__parser_MOD_p_err_i':
../Modules/parser.o(.text+0x968): undefined reference to `cpflush'
../Modules/parser.o: In function `__parser_MOD_field_compare':
../Modules/parser.o(.text+0x11b8): undefined reference to `cpflush'
../Modules/ptoolkit.o: In function `pzhptrd':
../Modules/ptoolkit.o(.text+0x8b4): undefined reference to `dlapy3'
../Modules/ptoolkit.o(.text+0x8e8): undefined reference to `dlamch'
../Modules/ptoolkit.o(.text+0x8f8): undefined reference to `dlamch'
../Modules/ptoolkit.o(.text+0x9d4): undefined reference to `dlapy3'
../Modules/ptoolkit.o(.text+0xa24): undefined reference to `zladiv'
../Modules/ptoolkit.o(.text+0xad4): undefined reference to `zladiv'
../Modules/ptoolkit.o: In function `pzsteqr':
../Modules/ptoolkit.o(.text+0x31a4): undefined reference to `lsame'
../Modules/ptoolkit.o(.text+0x31d4): undefined reference to `lsame'
../Modules/ptoolkit.o(.text+0x3208): undefined reference to `lsame'
../Modules/ptoolkit.o(.text+0x32fc): undefined reference to `xerbla'
../Modules/ptoolkit.o(.text+0x35cc): undefined reference to `dlamch'
../Modules/ptoolkit.o(.text+0x35e8): undefined reference to `dlamch'
../Modules/ptoolkit.o(.text+0x3664): undefined reference to `zlaset'
../Modules/ptoolkit.o(.text+0x3c0c): undefined reference to `dlanst'
../Modules/ptoolkit.o(.text+0x3c8c): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x3cd0): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x3d3c): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x3d80): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x3f54): undefined reference to `dlaev2'
../Modules/ptoolkit.o(.text+0x4350): undefined reference to `dlae2'
../Modules/ptoolkit.o(.text+0x43c4): undefined reference to `dlapy2'
../Modules/ptoolkit.o(.text+0x4490): undefined reference to `dlartg'
../Modules/ptoolkit.o(.text+0x4530): undefined reference to `dlartg'
../Modules/ptoolkit.o(.text+0x4bc0): undefined reference to `dlaev2'
../Modules/ptoolkit.o(.text+0x4fc0): undefined reference to `dlae2'
../Modules/ptoolkit.o(.text+0x5034): undefined reference to `dlapy2'
../Modules/ptoolkit.o(.text+0x50f0): undefined reference to `dlartg'
../Modules/ptoolkit.o(.text+0x518c): undefined reference to `dlartg'
../Modules/ptoolkit.o(.text+0x56c4): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x570c): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x5788): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x57d0): undefined reference to `dlascl'
../Modules/ptoolkit.o(.text+0x5b14): undefined reference to `dlasrt'
/usr/lib/gcc-lib/powerpc-suse-linux/3.2.2/../../../libessl.so: undefined reference to `pthread_once'
/usr/lib/gcc-lib/powerpc-suse-linux/3.2.2/../../../libessl.so: undefined reference to `_xlf_create_threadlocal'
make[1]: *** [memory.x] Error 1

It seems there are problems with LAPACK library. But I use the ESSL library. Does this library contain LAPACK?

And another. In all makefiles for ibm machine I did not find  anything for parallel version. When I added in CPP flags -D__MPI -D__PARA such for other clusters I got a warning that these flags are not recognized. So, How to compile a parallel version?

 Thanks a lot,
   Best wishes,
    Sergey