<p>To be more precise, I will report the problem below. Even it is not related to cp2k yet. It is just a matter of Lapack...Sorry for this, but all of you may have suggestion then!!See below:<br> <br>Using 64 bit g95 compiler, I can compile lapack-3.1.1 linked with GotoBLAS-1.06, while I can't compile lapack-3.1.1 linked with GotoBLAS-1.24-----this is a bug! Using 32 bit g95 compiler, I could not compile lapack-3.1.1 linked with GotoBLAS-1.24 as well. So I should compile lapack-3.1.1 linked with GotoBLAS-1.06 by the 32-bit G95 compiler "Linux x86_64/EMT64 (32 bit D.I.)". But the "make" doesn't realize the command in this case! At the bottom, I attached the "Makefile.rule" of GotoBLAS, which in practice gives the following error message...</p>
<div>**********************************************************</div>
<div>make[2]: Leaving directory `/home/liang/library/GotoBLAS-1.06/level1/others'<br>make[2]: Entering directory `/home/liang/library/GotoBLAS-1.06/level1/rot'<br>c -O2 srot.f -o srot.o<br>make[2]: c: Command not found<br>
make[2]: [srot.o] Error 127 (ignored)<br>c -O2 drot.f -o drot.o<br>make[2]: c: Command not found<br>make[2]: [drot.o] Error 127 (ignored)<br>c -O2 csrot.f -o csrot.o<br>make[2]: c: Command not found<br>make[2]: [csrot.o] Error 127 (ignored)<br>
c -O2 zdrot.f -o zdrot.o<br>make[2]: c: Command not found<br>make[2]: [zdrot.o] Error 127 (ignored)<br>ar -ruv ../../libgoto_opteron-r1.06.a srot.o drot.o csrot.o zdrot.o <br>ar: srot.o: No such file or directory</div>
<div>***********************************************************<br>I addition, I found that similiar Makefile.rule of GotoBLAS works in compiling GotoBLAS-1.24. It doesn't work just when you compile lapack-3.1.1 and cp2k. I don't know how to solve the problem. Could you?<br>
<br>Thanks!<br>Sincerely, Yunfeng</div>
<div> </div>
<div>*****************************Makefile.rule**************************************</div>
<div>#<br># Beginning of user configuration<br>#</div>
<div># This library's version<br>REVISION = -r1.06</div>
<div># Which do you prefer to use for C compiler? Default is gcc.<br># I recommend you to use GCC because inline assembler is required.<br># C_COMPILER = GNU<br># C_COMPILER = INTEL</div>
<div># Which do you prefer to use for Fortran compiler? Default is GNU G77.<br># F_COMPILER = G77<br># F_COMPILER = G95<br> F_COMPILER = /home/liang/g95-install/bin/x86_64-unknown-linux-gnu-g95<br># F_COMPILER = GFORTRAN<br>
# F_COMPILER = INTEL<br># F_COMPILER = PGI<br># F_COMPILER = PATHSCALE<br># F_COMPILER = IBM<br># F_COMPILER = COMPAQ<br># F_COMPILER = SUN<br># F_COMPILER = F2C</div>
<div># If you want to build threaded version.<br># You can specify number of threads by environment value<br># "OMP_NUM_THREADS", otherwise, it's automatically detected.<br># SMP = 1</div>
<div># You may specify Maximum number of threads. It should be minimum.<br># MAX_THREADS = 4</div>
<div># If you need 64bit binary; some architecture can accept both 32bit and<br># 64bit binary(EM64T, Opteron, SPARC and Power/PowerPC).<br># BINARY64 = 1</div>
<div># If you want to drive whole 64bit region by BLAS. Not all Fortran<br># compiler supports this. It's safe to keep comment it out if you<br># are not sure.<br># INTERFACE64 = 1<br># If you need Special memory management;<br>
# Using HugeTLB file system(Linux / AIX / Solaris)<br># CCOMMON_OPT += -DALLOC_HUGETLB</div>
<div># Using static allocation instead of dynamic allocation<br># You can't use it with ALLOC_HUGETLB together<br># CCOMMON_OPT += -DALLOC_STATIC</div>
<div># If you want to use CPU affinity<br># CCOMMON_OPT += -DUSE_CPU_AFFINITY</div>
<div># If you want to use memory affinity (for NUMA)<br># You can't use it with ALLOC_STATIC together<br># NUMA_AFFINITY = 1</div>
<div># If you want to use pure thread server model.<br># Default is only OMP_NUM_THREADS - 1 threads are spawned to reduce<br># thread overhead. This is not implemented yet.<br># CCOMMON_OPT += -DALL_THREADED</div>
<div># Use busy wait instead of pthread_lock implemenation<br># BLAS perforamnce should be better, but total performance would be<br># worse due to extra usage of CPU<br># CCOMMON_OPT += -DUSE_BUSYWAIT</div>
<div># If you have special compiler to run script to determine architecture.<br>GETARCH_CC =<br>GETARCH_FLAGS =</div>
<div>#<br># End of user configuration<br>#</div>
<div>....</div>
<div>....<br></div>