Error in running Molpro

[Jishnu Narayanan S J]

Dear Molpro users,

I am trying to install Molpro in the master node of a linux cluster. OS is Centos 7.

After installation, I am getting this error when running a test HF job.

I have used the same installer before in another Centos workstation and it worked fine. 

--------------------------------------

*** Error in `/soft/molpro/molpro_2023.2/bin/molpro.exe': munmap_chunk(): invalid pointer: 0x00002ac54bffe690 ***
======= Backtrace: =========
/usr/lib64/libc.so.6(+0x7f5d4)[0x2ac54cba95d4]
/lib64/ld-linux-x86-64.so.2(+0x59dd)[0x2ac54bfe19dd]
/lib64/ld-linux-x86-64.so.2(+0x8700)[0x2ac54bfe4700]
/lib64/ld-linux-x86-64.so.2(+0x141e4)[0x2ac54bff01e4]
/lib64/ld-linux-x86-64.so.2(+0xf714)[0x2ac54bfeb714]
/lib64/ld-linux-x86-64.so.2(+0x13acb)[0x2ac54bfefacb]
/usr/lib64/libdl.so.2(+0xeeb)[0x2ac54c200eeb]
/lib64/ld-linux-x86-64.so.2(+0xf714)[0x2ac54bfeb714]
/usr/lib64/libdl.so.2(+0x14ed)[0x2ac54c2014ed]
/usr/lib64/libdl.so.2(dlopen+0x31)[0x2ac54c200f81]
/soft/molpro/molpro_2023.2/bin/molpro.exe[0xacb2c3f]
/soft/molpro/molpro_2023.2/bin/molpro.exe[0xa9c7254]
/soft/molpro/molpro_2023.2/bin/molpro.exe[0xabcaa60]
/soft/molpro/molpro_2023.2/bin/molpro.exe(MPI_Init+0xcb)[0xabca31b]
/soft/molpro/molpro_2023.2/bin/molpro.exe(PPIDD_Initialize+0xee)[0x8721cce]
/soft/molpro/molpro_2023.2/bin/molpro.exe(main+0xde)[0x8cfefe]
/usr/lib64/libc.so.6(__libc_start_main+0xf5)[0x2ac54cb4c3d5]
/soft/molpro/molpro_2023.2/bin/molpro.exe[0x8d9baf]
======= Memory map: ========
00400000-0c89a000 r-xp 00000000 08:04 39452678                           /soft/molpro/molpro_2023.2/bin/molpro.exe
0ca99000-0cad6000 r--p 0c499000 08:04 39452678                           /soft/molpro/molpro_2023.2/bin/molpro.exe
0cad6000-0cbc2000 rw-p 0c4d6000 08:04 39452678                           /soft/molpro/molpro_2023.2/bin/molpro.exe
0cbc2000-3a4c8000 rw-p 00000000 00:00 0
3ae7f000-3aea0000 rw-p 00000000 00:00 0                                  [heap]
2ac54bfdc000-2ac54bffe000 r-xp 00000000 08:06 27679                      /usr/lib64/ld-2.17.so
2ac54bffe000-2ac54c00c000 rw-p 00000000 00:00 0
2ac54c00c000-2ac54c010000 r--p 00000000 08:04 47977558                   /soft/anaconda3/envs/pade/lib/libgcc_s.so.1
2ac54c010000-2ac54c020000 r-xp 00004000 08:04 47977558                   /soft/anaconda3/envs/pade/lib/libgcc_s.so.1
2ac54c020000-2ac54c023000 r--p 00014000 08:04 47977558                   /soft/anaconda3/envs/pade/lib/libgcc_s.so.1
2ac54c023000-2ac54c024000 r--p 00016000 08:04 47977558                   /soft/anaconda3/envs/pade/lib/libgcc_s.so.1
2ac54c024000-2ac54c025000 rw-p 00017000 08:04 47977558                   /soft/anaconda3/envs/pade/lib/libgcc_s.so.1
2ac54c1fd000-2ac54c1fe000 r--p 00021000 08:06 27679                      /usr/lib64/ld-2.17.so
2ac54c1fe000-2ac54c1ff000 rw-p 00022000 08:06 27679                      /usr/lib64/ld-2.17.so
2ac54c1ff000-2ac54c200000 rw-p 00000000 00:00 0
2ac54c200000-2ac54c202000 r-xp 00000000 08:06 27692                      /usr/lib64/libdl-2.17.so
2ac54c202000-2ac54c402000 ---p 00002000 08:06 27692                      /usr/lib64/libdl-2.17.so
2ac54c402000-2ac54c403000 r--p 00002000 08:06 27692                      /usr/lib64/libdl-2.17.so
2ac54c403000-2ac54c404000 rw-p 00003000 08:06 27692                      /usr/lib64/libdl-2.17.so
2ac54c404000-2ac54c41b000 r-xp 00000000 08:06 27712                      /usr/lib64/libpthread-2.17.so
2ac54c41b000-2ac54c61a000 ---p 00017000 08:06 27712                      /usr/lib64/libpthread-2.17.so
2ac54c61a000-2ac54c61b000 r--p 00016000 08:06 27712                      /usr/lib64/libpthread-2.17.so
2ac54c61b000-2ac54c61c000 rw-p 00017000 08:06 27712                      /usr/lib64/libpthread-2.17.so
2ac54c61c000-2ac54c620000 rw-p 00000000 00:00 0
2ac54c620000-2ac54c627000 r-xp 00000000 08:06 27716                      /usr/lib64/librt-2.17.so
2ac54c627000-2ac54c826000 ---p 00007000 08:06 27716                      /usr/lib64/librt-2.17.so
2ac54c826000-2ac54c827000 r--p 00006000 08:06 27716                      /usr/lib64/librt-2.17.so
2ac54c827000-2ac54c828000 rw-p 00007000 08:06 27716                      /usr/lib64/librt-2.17.so
2ac54c828000-2ac54c929000 r-xp 00000000 08:06 27694                      /usr/lib64/libm-2.17.so
2ac54c929000-2ac54cb28000 ---p 00101000 08:06 27694                      /usr/lib64/libm-2.17.so
2ac54cb28000-2ac54cb29000 r--p 00100000 08:06 27694                      /usr/lib64/libm-2.17.so
2ac54cb29000-2ac54cb2a000 rw-p 00101000 08:06 27694                      /usr/lib64/libm-2.17.so
2ac54cb2a000-2ac54ccec000 r-xp 00000000 08:06 27686                      /usr/lib64/libc-2.17.so
2ac54ccec000-2ac54ceec000 ---p 001c2000 08:06 27686                      /usr/lib64/libc-2.17.so
2ac54ceec000-2ac54cef0000 r--p 001c2000 08:06 27686                      /usr/lib64/libc-2.17.so
2ac54cef0000-2ac54cef2000 rw-p 001c6000 08:06 27686                      /usr/lib64/libc-2.17.so
2ac54cef2000-2ac54cef7000 rw-p 00000000 00:00 0
7f0000000000-7f0003000000 rw-p 00000000 00:00 0
7f2000000000-7f2000400000 rw-p 00000000 00:00 0
7ffc126ae000-7ffc126d2000 rw-p 00000000 00:00 0                          [stack]
7ffc127da000-7ffc127dc000 r-xp 00000000 00:00 0                          [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0                  [vsyscall]

-------------------------------------------------------

Thanks in advance,

Jishnu

[Andy May]

Dear Jishnu,

I think you have to compare your working system to your non-working system and see what differences there are, such as OS updates and environment. One thing that seems quite odd is a reference to /soft/anaconda3/envs/pade/lib/libgcc_s.so.1 , i.e. a non-system GCC library, perhaps you need to check your LD_LIBRARY_PATH or similar and modify it such that it resolves to the system /usr/lib64/libgcc_s.so.1 library.

Best wishes,

Andy

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