Task 38685367
| Name | test_767-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8999_0 |
| Workunit | 31626837 |
| Created | 27 Oct 2026, 20:43:14 UTC |
| Sent | 27 Oct 2026, 20:43:31 UTC |
| Report deadline | 1 Nov 2026, 20:43:31 UTC |
| Received | 28 Oct 2026, 13:23:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 35 min 40 sec |
| CPU time | 30 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 671.52 MB |
| Peak swap size | 3.80 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:45:48 (768): wrapper (7.9.26016): starting
21:45:48 (768): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
21:45:51 (768): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:45:51 (768): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'E:\BOINC\slots\5\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'E:\BOINC\slots\5\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
14:02:43 (18436): wrapper (7.9.26016): starting
14:02:43 (18436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file E:\BOINC\slots\5\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:23:21 (18436): C:/Windows/system32/cmd.exe exited; CPU time 1081.218750
14:23:21 (18436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 20063276 bytes.
Dumping objects ->
{1871} normal block at 0x000001EFC426D870, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1860} normal block at 0x000001EFC426B850, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1849} normal block at 0x000001EFC426C390, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1838} normal block at 0x000001EFC426C030, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1827} normal block at 0x000001EFC426BC70, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{1796} normal block at 0x000001EFC426D800, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {1782} normal block at 0x000001EFC42729F0, 8 bytes long.
Data: < > 00 00 B7 C5 EF 01 00 00
{303} normal block at 0x000001EFC4273490, 8 bytes long.
Data: < =' > 20 3D 27 C4 EF 01 00 00
{294} normal block at 0x000001EFC426CDF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001EFC4273300, 16 bytes long.
Data: <(<' > 28 3C 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EFC4273260, 16 bytes long.
Data: < <' > 00 3C 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EFC426BD90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001EFC4272DB0, 16 bytes long.
Data: < ;' > D8 3B 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EFC4272680, 16 bytes long.
Data: < ;' > B0 3B 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EFC4273030, 16 bytes long.
Data: < ;' > 88 3B 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EFC4272F40, 16 bytes long.
Data: <`;' > 60 3B 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EFC426D560, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001EFC42726D0, 16 bytes long.
Data: < ^% > D8 5E 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EFC426C4B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001EFC42730D0, 16 bytes long.
Data: < ^% > B0 5E 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EFC4272770, 16 bytes long.
Data: < ^% > 88 5E 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EFC42732B0, 16 bytes long.
Data: <`^% > 60 5E 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EFC4272590, 16 bytes long.
Data: <8^% > 38 5E 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EFC4272A40, 16 bytes long.
Data: < ^% > 10 5E 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EFC4272810, 16 bytes long.
Data: < ]% > E8 5D 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EFC426B7F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001EFC4272E00, 16 bytes long.
Data: < ]% > C0 5D 25 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EFC4255DC0, 320 bytes long.
Data: < .' & > 00 2E 27 C4 EF 01 00 00 F0 B7 26 C4 EF 01 00 00
{273} normal block at 0x000001EFC42729A0, 16 bytes long.
Data: <@;' > 40 3B 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EFC4273210, 16 bytes long.
Data: < ;' > 18 3B 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EFC426C510, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001EFC4273080, 16 bytes long.
Data: < :' > F0 3A 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EFC426C0F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001EFC4272630, 16 bytes long.
Data: <8:' > 38 3A 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EFC4272A90, 16 bytes long.
Data: < :' > 10 3A 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EFC4272CC0, 16 bytes long.
Data: < 9' > E8 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EFC4273170, 16 bytes long.
Data: < 9' > C0 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EFC4272BD0, 16 bytes long.
Data: < 9' > 98 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EFC4272900, 16 bytes long.
Data: <p9' > 70 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EFC42727C0, 16 bytes long.
Data: < & > F0 D4 26 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EFC426D4F0, 40 bytes long.
Data: < '' & > C0 27 27 C4 EF 01 00 00 00 D8 26 C4 EF 01 00 00
{259} normal block at 0x000001EFC4273120, 16 bytes long.
Data: <P9' > 50 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EFC42725E0, 16 bytes long.
Data: <(9' > 28 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EFC426C330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001EFC4272EF0, 16 bytes long.
Data: < 9' > 00 39 27 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001EFC4273900, 992 bytes long.
Data: < .' 0 & > F0 2E 27 C4 EF 01 00 00 30 C3 26 C4 EF 01 00 00
{91} normal block at 0x000001EFC426BE50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001EFC42675B0, 16 bytes long.
Data: < & > 10 D4 26 C4 EF 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001EFC426D410, 40 bytes long.
Data: < u& P & > B0 75 26 C4 EF 01 00 00 50 BE 26 C4 EF 01 00 00
{68} normal block at 0x000001EFC42674C0, 16 bytes long.
Data: < u > 80 EA 75 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EFC42667F0, 16 bytes long.
Data: <@ u > 40 E9 75 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EFC4267470, 16 bytes long.
Data: < Wr > F8 57 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EFC42670B0, 16 bytes long.
Data: < Wr > D8 57 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EFC4266CF0, 16 bytes long.
Data: <P r > 50 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EFC4266930, 16 bytes long.
Data: <0 r > 30 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EFC4266C50, 16 bytes long.
Data: < r > E0 02 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EFC4266A20, 16 bytes long.
Data: < r > 10 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EFC42671A0, 16 bytes long.
Data: <p r > 70 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EFC4267100, 16 bytes long.
Data: < p > 18 C0 70 98 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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