Hi!
I have trying to compile siesta 4.1.5 (parallel) with Intel + MKL + MPI (OpenMPI). Everything goes fine on the compilation and the siesta binary runs and also looks fine. See below:
Siesta Version : 4.1.5
Architecture : x86_64_MPI_INTEL
Compiler version: ifort (IFORT) 2021.6.0 20220226
Compiler flags : mpifort -O2 -fPIC -fp-model source
PP flags : -DFC_HAVE_ABORT -DMPI
Libraries : -Wl,--start-group /opt/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_intel_llp64.a /opt/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_sequential.a /opt/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_core.a /opt/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_blacs_intelmpi_lp64.a /opt/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_scalapack_lp64.a -Wl,--end-group -lpthread -lm
PARALLEL version
* Running in serial mode with MPI
>> Start of run: 27-JUL-2022 12:20:48
***********************
* WELCOME TO SIESTA *
***********************
reinit: Reading from standard input
reinit: Dumped input in INPUT_TMP.88872
************************** Dump of input data file ****************************
But when I try to use siesta, running it with some input, I receive this messages:
[n01:628883:0:628883] Caught signal 11 (Segmentation fault: address not
mapped to object at address 0x440000e8)
==== backtrace (tid: 628883) ====
0
/opt/ohpc/pub/mpi/ucx-ohpc/1.11.2/lib/libucs.so.0(ucs_handle_error+0x254)
[0x149ed3ca2b94]
1 /opt/ohpc/pub/mpi/ucx-ohpc/1.11.2/lib/libucs.so.0(+0x27d4c)
[0x149ed3ca2d4c]
2 /opt/ohpc/pub/mpi/ucx-ohpc/1.11.2/lib/libucs.so.0(+0x27ff8)
[0x149ed3ca2ff8]
3
/opt/ohpc/pub/mpi/openmpi4-intel/4.1.1/lib/libmpi.so.40(MPI_Comm_size+0x51)
[0x149eebc79c51]
4 siesta() [0x21dafe9]
5 siesta() [0x1bf7da1]
6 siesta() [0x1bf7ce8]
7 siesta() [0x1bf78cf]
8 siesta() [0x1bf72ae]
9 siesta() [0x856bb5]
10 siesta() [0x8429e8]
11 siesta() [0x478056]
12 siesta() [0x446447]
13 siesta() [0x581f35]
14 siesta() [0x5ccb5c]
15 siesta() [0xb39ced]
16 siesta() [0x415522]
17 /lib64/libc.so.6(__libc_start_main+0xf3) [0x149eeb862493]
18 siesta() [0x41542e]
=================================
[n01:628881:0:628881] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x440000e8)
I have tryied to compile another versions of the siesta but it doesn’t matter which version I try to install. It doesn’t work. My processors are the AMD Opteron 6168 and AMD Opteron Processor 6174. Is there or Isn’t there some instruction in those processors that could cause it? Or is not there instruction in those processors that siesta needs?
I will be grateful for any help! =)