Task 38647571
| Name | test_462-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND6397_0 |
| Workunit | 31592299 |
| Created | 23 Oct 2026, 20:13:49 UTC |
| Sent | 23 Oct 2026, 20:29:10 UTC |
| Report deadline | 28 Oct 2026, 20:29:10 UTC |
| Received | 23 Oct 2026, 20:56:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 20 min 47 sec |
| CPU time | 19 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.70 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:36:35 (29396): wrapper (7.9.26016): starting
15:36:35 (29396): 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
15:36:36 (29396): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:36:36 (29396): 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 'C:\ProgramData\BOINC\slots\1\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 'C:\ProgramData\BOINC\slots\1\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.
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
15:56:31 (29396): C:/Windows/system32/cmd.exe exited; CPU time 1181.015625
15:56:31 (29396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 25979893 bytes.
Dumping objects ->
{3835519} normal block at 0x00000271BC995930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x00000271BC995620, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x00000271BC996260, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x00000271BAAC7730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x00000271BAAC76C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x00000271BC938D40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x00000271BAABF560, 8 bytes long.
Data: < þºq > 00 00 FE BA 71 02 00 00
{3833959} normal block at 0x00000271BAABF330, 8 bytes long.
Data: <àj¬ºq > E0 6A AC BA 71 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000271BAAC12B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000271BAAAEAE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000271BAAC8110, 16 bytes long.
Data: <xŒ¬ºq > 78 8C AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000271BAAC7CB0, 16 bytes long.
Data: <PŒ¬ºq > 50 8C AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000271BAAC0EE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000271BAAC82F0, 16 bytes long.
Data: <(Œ¬ºq > 28 8C AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000271BAAC7F80, 16 bytes long.
Data: < Œ¬ºq > 00 8C AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000271BAAC7B70, 16 bytes long.
Data: <Ø‹¬ºq > D8 8B AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000271BAAC7DF0, 16 bytes long.
Data: <°‹¬ºq > B0 8B AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000271BAAC7810, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000271BAAC83E0, 16 bytes long.
Data: <¸åªºq > B8 E5 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000271BAAC0880, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000271BAAC87F0, 16 bytes long.
Data: < 媺q > 90 E5 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000271BAAC7DA0, 16 bytes long.
Data: <h媺q > 68 E5 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000271BAAC87A0, 16 bytes long.
Data: <@媺q > 40 E5 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000271BAAC8070, 16 bytes long.
Data: < 媺q > 18 E5 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000271BAAC8200, 16 bytes long.
Data: <ð䪺q > F0 E4 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000271BAAC8750, 16 bytes long.
Data: <È䪺q > C8 E4 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000271BAAC0E80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000271BAAC8700, 16 bytes long.
Data: < äªºq > A0 E4 AA BA 71 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000271BAAAE4A0, 320 bytes long.
Data: < ‡¬ºq ¬ºq > 00 87 AC BA 71 02 00 00 80 0E AC BA 71 02 00 00
{275} normal block at 0x00000271BAAC86B0, 16 bytes long.
Data: < ‹¬ºq > 90 8B AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000271BAAC7EE0, 16 bytes long.
Data: <h‹¬ºq > 68 8B AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000271BAAC01C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000271BAAC7E90, 16 bytes long.
Data: <@‹¬ºq > 40 8B AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000271BAAC04C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000271BAAC8480, 16 bytes long.
Data: < Š¬ºq > 88 8A AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000271BAAC7A30, 16 bytes long.
Data: <`Š¬ºq > 60 8A AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000271BAAC8020, 16 bytes long.
Data: <8Š¬ºq > 38 8A AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000271BAAC8340, 16 bytes long.
Data: < Š¬ºq > 10 8A AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000271BAAC7C60, 16 bytes long.
Data: <艬ºq > E8 89 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000271BAAC8610, 16 bytes long.
Data: <À‰¬ºq > C0 89 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000271BAAC7F30, 16 bytes long.
Data: <ðq¬ºq > F0 71 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000271BAAC71F0, 40 bytes long.
Data: <0 ¬ºq @ “¼q > 30 7F AC BA 71 02 00 00 40 8D 93 BC 71 02 00 00
{261} normal block at 0x00000271BAAC7D50, 16 bytes long.
Data: < ‰¬ºq > A0 89 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000271BAAC8660, 16 bytes long.
Data: <x‰¬ºq > 78 89 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000271BAAC0BE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000271BAAC7FD0, 16 bytes long.
Data: <P‰¬ºq > 50 89 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000271BAAC8950, 992 bytes long.
Data: <Ð ¬ºq à ¬ºq > D0 7F AC BA 71 02 00 00 E0 0B AC BA 71 02 00 00
{93} normal block at 0x00000271BAAC0160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000271BAABFCE0, 16 bytes long.
Data: < w¬ºq > A0 77 AC BA 71 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000271BAAC77A0, 40 bytes long.
Data: <àü«ºq ` ¬ºq > E0 FC AB BA 71 02 00 00 60 01 AC BA 71 02 00 00
{70} normal block at 0x00000271BAABFC90, 16 bytes long.
Data: < ê  ÷ > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000271BAABFBA0, 16 bytes long.
Data: <@é  ÷ > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000271BAABF510, 16 bytes long.
Data: <øW  ÷ > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000271BAABFB50, 16 bytes long.
Data: <ØW  ÷ > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000271BAABFE70, 16 bytes long.
Data: <P  ÷ > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000271BAABF470, 16 bytes long.
Data: <0  ÷ > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000271BAABFB00, 16 bytes long.
Data: <à  ÷ > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000271BAABF150, 16 bytes long.
Data: <  ÷ > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000271BAABF740, 16 bytes long.
Data: <p  ÷ > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000271BAABF880, 16 bytes long.
Data: < À  ÷ > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra