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<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">Dear Pr. Blaha, Dear Wien2k users,<o:p></o:p></span></font><br>
<br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">We tried to install the last version of Wien2k
(14.1) on a supercomputer and we are facing some troubles with
the MPI parallel version.<o:p></o:p></span><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US"><o:p> </o:p></span></font> <br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><br>
1)<span style="mso-spacerun:yes"> </span>lapw0 is running
correctly in sequential, but crashes systematically when the
parallel option is activated (independently of the number of
cores we use):<o:p></o:p></span></font><br>
<br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">><span style="mso-spacerun:yes"> </span>lapw0
-p<span style="mso-spacerun:yes"> </span>(16:08:13) starting
parallel lapw0 at lun. sept. 29 <o:p></o:p></span></font><font
face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">16:08:13 CEST 2014<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">-------- .machine0 : 4 processors<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> </span>Child id<span
style="mso-spacerun:yes"> </span>1 SIGSEGV<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> </span>Child id<span
style="mso-spacerun:yes"> </span>2 SIGSEGV<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> </span>Child id<span
style="mso-spacerun:yes"> </span>3 SIGSEGV<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> </span>Child id<span
style="mso-spacerun:yes"> </span>0 SIGSEGV<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">**<span style="mso-spacerun:yes"> </span>lapw0
crashed!<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">0.029u 0.036s 0:50.91 0.0%<span
style="mso-spacerun:yes"> </span>0+0k 5248+104io 17pf+0w<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">error: command<span style="mso-spacerun:yes"> </span>/eos3/p1229/remir/INSTALLATION_WIEN/14.1/lapw0para
-up <o:p></o:p></span></font><font face="Times New Roman,
Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">-c lapw0.def<span style="mso-spacerun:yes"> </span>failed<o:p></o:p></span><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><o:p> </o:p></span></font> <br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">><span style="mso-spacerun:yes"> </span>stop
error<o:p></o:p></span></font><br>
<br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">w2k_dispatch_signal(): received: Segmentation fault<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">w2k_dispatch_signal(): received: Segmentation fault<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> </span>Child with
myid of<span style="mso-spacerun:yes"> </span>1<span
style="mso-spacerun:yes"> </span>has an error<o:p></o:p></span></font><font
face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> <br>
</span>'Unknown' - SIGSEGV<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span style="mso-spacerun:yes"> </span>Child id<span
style="mso-spacerun:yes"> </span>1 SIGSEGV<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">application called MPI_Abort(MPI_COMM_WORLD, 0) -
process 1<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">**<span style="mso-spacerun:yes"> </span>lapw0
crashed!<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">cat: No match.</span></font><font face="Times New
Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family:"Times New Roman";
mso-fareast-language:FR">0.027u 0.034s 1:33.13 0.0%<span
style="mso-spacerun:yes"> </span>0+0k 5200+96io 16pf+0w<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">error: command<span style="mso-spacerun:yes"> </span>/eos3/p1229/remir/INSTALLATION_WIEN/14.1/lapw0para
-up -c lapw0.def<span style="mso-spacerun:yes"> </span>failed<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><o:p> </o:p></span> </font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><br>
2) lapw2 also crashes sometimes when MPI parallelization is
used. Sequential or k-parallel runs are ok, and contrary to
lapw0, the error does not occur for all cases (we did not notice
any problem when testing <o:p></o:p></span></font><font
face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">the mpi benchmark with lapw1):</span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"> <br>
w2k_dispatch_signal(): received: Segmentation fault </span></font><font
face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">application called MPI_Abort(MPI_COMM_WORLD, 768) -
process 0<o:p></o:p></span><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><o:p> </o:p></span></font> <br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><br>
</span></font><font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><span
style="font-size:10.0pt;font-family:"Courier
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Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">Our system is a Bullx DLC Cluster (LInux Red Hat+
Intel Ivybridge) and we use the compiler(+mkl)
intel/14.0.2.144 and intelmpi/4.1.3.049</span>.<br>
The batch Scheduler is SLURM.<o:p></o:p></span></font><br>
<br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">Here are the settings and the options we used for
the installation :<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><o:p> </o:p></span> </font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">OPTIONS:<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -Dmkl_scalapack -traceback -xAVX<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:FFTW_OPT:-DFFTW3
-I/users/p1229/remir/INSTALLATION_WIEN/fftw-3.3.4-Intel_MPI/include<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:FFTW_LIBS:-lfftw3_mpi -lfftw3
-L/users/p1229/remir/INSTALLATION_WIEN/fftw-3.3.4-Intel_MPI/lib<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:LDFLAGS:$(FOPT)
-L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:DPARALLEL:'-DParallel'<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core -openmp -lpthread<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:RP_LIBS:-mkl=cluster -lfftw3_mpi -lfftw3
-L/users/p1229/remir/INSTALLATION_WIEN/fftw-3.3.4-Intel_MPI/lib<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:MPIRUN:mpirun -np _NP_ _EXEC_<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US">current:MKL_TARGET_ARCH:intel64<o:p></o:p></span></font><font
face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
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lang="EN-US"><br>
PARALLEL_OPTIONS:<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">setenv TASKSET "no"<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">setenv USE_REMOTE 1 <o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">setenv MPI_REMOTE 1 <o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">setenv WIEN_GRANULARITY 1<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">setenv WIEN_MPIRUN "mpirun -np _NP_ _EXEC_"<o:p></o:p></span></font><br>
<br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US">Any suggestions which could help us to solve this
problem would be greatly appreciated.<o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US"><o:p></o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US"><o:p>Best regards,</o:p></span></font><br>
<font face="Times New Roman, Times, serif"><span
style="font-size:10.0pt;font-family:"Courier
New";mso-fareast-font-family: "Times New
Roman";mso-ansi-language:EN-US;mso-fareast-language:FR"
lang="EN-US"><o:p> Rémi Arras</o:p></span></font>
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