Task 38686927
| Name | test_841-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2316_0 |
| Workunit | 31628336 |
| Created | 28 Oct 2026, 5:07:59 UTC |
| Sent | 28 Oct 2026, 5:08:01 UTC |
| Report deadline | 2 Nov 2026, 5:08:01 UTC |
| Received | 28 Oct 2026, 7:40:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647670 |
| Run time | 39 min 44 sec |
| CPU time | 37 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,117.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.03 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
08:02:10 (17524): wrapper (7.9.26016): starting
08:02:10 (17524): 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
08:02:12 (17524): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:02:12 (17524): 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\18\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\18\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
08:40:24 (17524): C:/Windows/system32/cmd.exe exited; CPU time 2251.437500
08:40:24 (17524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 bytes in 8 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: 39250519 bytes.
Dumping objects ->
{3835240} normal block at 0x0000026A02294590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000026A02294520, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000026A02294210, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x0000026A022943D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x0000026A022942F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x0000026A03F89D40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x0000026A022ECB80, 144 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x0000026A0228E700, 8 bytes long.
Data: < n j > 00 00 6E 02 6A 02 00 00
{3834552} normal block at 0x0000026A022ED540, 144 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000026A0228E9D0, 8 bytes long.
Data: <pmþ j > 70 6D FE 03 6A 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026A02290540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026A02285590, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000026A02294B20, 16 bytes long.
Data: <(^) j > 28 5E 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026A02294E40, 16 bytes long.
Data: < ^) j > 00 5E 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026A0228F270, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000026A02294DF0, 16 bytes long.
Data: <Ø]) j > D8 5D 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026A02294DA0, 16 bytes long.
Data: <°]) j > B0 5D 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026A022951B0, 16 bytes long.
Data: < ]) j > 88 5D 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026A02294F80, 16 bytes long.
Data: <`]) j > 60 5D 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026A02294670, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000026A02294AD0, 16 bytes long.
Data: <H´' j > 48 B4 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026A0228FB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000026A02295480, 16 bytes long.
Data: < ´' j > 20 B4 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026A02294A80, 16 bytes long.
Data: <ø³' j > F8 B3 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026A02294A30, 16 bytes long.
Data: <г' j > D0 B3 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026A02294D00, 16 bytes long.
Data: <¨³' j > A8 B3 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026A02295390, 16 bytes long.
Data: < ³' j > 80 B3 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026A02295110, 16 bytes long.
Data: <X³' j > 58 B3 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026A0228FB10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000026A02294990, 16 bytes long.
Data: <0³' j > 30 B3 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026A0227B330, 320 bytes long.
Data: < I) j û( j > 90 49 29 02 6A 02 00 00 10 FB 28 02 6A 02 00 00
{274} normal block at 0x0000026A02294C60, 16 bytes long.
Data: <@]) j > 40 5D 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026A02294F30, 16 bytes long.
Data: < ]) j > 18 5D 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026A0228F990, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000026A02294EE0, 16 bytes long.
Data: <ð\) j > F0 5C 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026A0228F210, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000026A02294BC0, 16 bytes long.
Data: <8\) j > 38 5C 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026A022958E0, 16 bytes long.
Data: < \) j > 10 5C 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026A02294E90, 16 bytes long.
Data: <è[) j > E8 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026A02295890, 16 bytes long.
Data: <À[) j > C0 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026A02294C10, 16 bytes long.
Data: < [) j > 98 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026A02295340, 16 bytes long.
Data: <p[) j > 70 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026A02295840, 16 bytes long.
Data: < F) j > 00 46 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026A02294600, 40 bytes long.
Data: <@X) j @ ø j > 40 58 29 02 6A 02 00 00 40 9D F8 03 6A 02 00 00
{260} normal block at 0x0000026A02295430, 16 bytes long.
Data: <P[) j > 50 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026A02294B70, 16 bytes long.
Data: <([) j > 28 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026A0228F690, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000026A02295160, 16 bytes long.
Data: < [) j > 00 5B 29 02 6A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026A02295B00, 992 bytes long.
Data: <`Q) j ö( j > 60 51 29 02 6A 02 00 00 90 F6 28 02 6A 02 00 00
{92} normal block at 0x0000026A0228EE50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000026A0228DDA0, 16 bytes long.
Data: < Þ' j > 80 DE 27 02 6A 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000026A0227DE80, 40 bytes long.
Data: < Ý( j Pî( j > A0 DD 28 02 6A 02 00 00 50 EE 28 02 6A 02 00 00
{69} normal block at 0x0000026A0228DCB0, 16 bytes long.
Data: < ê4 ÷ > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026A0228EB60, 16 bytes long.
Data: <@é4 ÷ > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026A0228EA70, 16 bytes long.
Data: <øW1 ÷ > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026A0228DC60, 16 bytes long.
Data: <ØW1 ÷ > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026A0228E8E0, 16 bytes long.
Data: <P 1 ÷ > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026A0228E520, 16 bytes long.
Data: <0 1 ÷ > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026A0228DDF0, 16 bytes long.
Data: <à 1 ÷ > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026A0228E4D0, 16 bytes long.
Data: < 1 ÷ > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026A0228E430, 16 bytes long.
Data: <p 1 ÷ > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026A0228E890, 16 bytes long.
Data: < À/ ÷ > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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