Task 38680015
| Name | test_627-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND2240_0 |
| Workunit | 31621761 |
| Created | 26 Oct 2026, 22:30:57 UTC |
| Sent | 26 Oct 2026, 22:31:05 UTC |
| Report deadline | 31 Oct 2026, 22:31:05 UTC |
| Received | 26 Oct 2026, 23:21:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623100 |
| Run time | 22 min 44 sec |
| CPU time | 21 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 786.37 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:59:22 (9772): wrapper (7.9.26016): starting
00:59:22 (9772): 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
00:59:23 (9772): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:59:23 (9772): 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\0\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\0\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
01:21:19 (9772): C:/Windows/system32/cmd.exe exited; CPU time 1272.140625
01:21:19 (9772): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20450813 bytes.
Dumping objects ->
{3835317} normal block at 0x0000017FCEB74FC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835306} normal block at 0x0000017FCEB75180, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835295} normal block at 0x0000017FCEB75490, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835284} normal block at 0x0000017FCEB75030, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835273} normal block at 0x0000017FCEB75420, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835242} normal block at 0x0000017FD08A8600, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000017FD08BED60, 102 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) : {3835228} normal block at 0x0000017FCEB6DC80, 8 bytes long.
Data: < Ð > 00 00 9C D0 7F 01 00 00
{3834592} normal block at 0x0000017FD08BECB0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000017FCEB6D780, 8 bytes long.
Data: <péÄÎ > 70 E9 C4 CE 7F 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017FCEB716E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000017FCEB65AD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000017FCEB760E0, 16 bytes long.
Data: <¸j·Î > B8 6A B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000017FCEB75C80, 16 bytes long.
Data: < j·Î > 90 6A B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000017FCEB6F0B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000017FCEB76450, 16 bytes long.
Data: <hj·Î > 68 6A B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000017FCEB75E10, 16 bytes long.
Data: <@j·Î > 40 6A B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017FCEB76720, 16 bytes long.
Data: < j·Î > 18 6A B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017FCEB765E0, 16 bytes long.
Data: <ði·Î > F0 69 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017FCEB75650, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000017FCEB75A50, 16 bytes long.
Data: < ì¶Î > 98 EC B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017FCEB6F6B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000017FCEB76270, 16 bytes long.
Data: <pì¶Î > 70 EC B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017FCEB75F00, 16 bytes long.
Data: <Hì¶Î > 48 EC B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017FCEB75C30, 16 bytes long.
Data: < ì¶Î > 20 EC B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017FCEB763B0, 16 bytes long.
Data: <øë¶Î > F8 EB B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017FCEB75CD0, 16 bytes long.
Data: <Ðë¶Î > D0 EB B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017FCEB76360, 16 bytes long.
Data: <¨ë¶Î > A8 EB B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017FCEB6F290, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000017FCEB75AA0, 16 bytes long.
Data: < ë¶Î > 80 EB B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017FCEB6EB80, 320 bytes long.
Data: < Z·Î ò¶Î > A0 5A B7 CE 7F 01 00 00 90 F2 B6 CE 7F 01 00 00
{280} normal block at 0x0000017FCEB76130, 16 bytes long.
Data: <Ði·Î > D0 69 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017FCEB766D0, 16 bytes long.
Data: <¨i·Î > A8 69 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017FCEB6F8F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000017FCEB757D0, 16 bytes long.
Data: < i·Î > 80 69 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017FCEB6F230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000017FCEB75EB0, 16 bytes long.
Data: <Èh·Î > C8 68 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017FCEB76630, 16 bytes long.
Data: < h·Î > A0 68 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017FCEB76680, 16 bytes long.
Data: <xh·Î > 78 68 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017FCEB76220, 16 bytes long.
Data: <Ph·Î > 50 68 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017FCEB75D70, 16 bytes long.
Data: <(h·Î > 28 68 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017FCEB75A00, 16 bytes long.
Data: < h·Î > 00 68 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017FCEB761D0, 16 bytes long.
Data: <`R·Î > 60 52 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017FCEB75260, 40 bytes long.
Data: <Ða·Î † Ð > D0 61 B7 CE 7F 01 00 00 00 86 8A D0 7F 01 00 00
{266} normal block at 0x0000017FCEB759B0, 16 bytes long.
Data: <àg·Î > E0 67 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017FCEB75FF0, 16 bytes long.
Data: <¸g·Î > B8 67 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017FCEB6FCB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000017FCEB76180, 16 bytes long.
Data: < g·Î > 90 67 B7 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017FCEB76790, 992 bytes long.
Data: < a·Î °ü¶Î > 80 61 B7 CE 7F 01 00 00 B0 FC B6 CE 7F 01 00 00
{98} normal block at 0x0000017FCEB6FA70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000017FCEB6D4B0, 16 bytes long.
Data: <` ¶Î > 60 8E B6 CE 7F 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000017FCEB68E60, 40 bytes long.
Data: <°Ô¶Î pú¶Î > B0 D4 B6 CE 7F 01 00 00 70 FA B6 CE 7F 01 00 00
{75} normal block at 0x0000017FCEB6CFB0, 16 bytes long.
Data: < êi ö > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000017FCEB6D870, 16 bytes long.
Data: <@éi ö > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000017FCEB6D000, 16 bytes long.
Data: <øWf ö > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017FCEB6D820, 16 bytes long.
Data: <ØWf ö > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017FCEB6D050, 16 bytes long.
Data: <P f ö > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017FCEB6D3C0, 16 bytes long.
Data: <0 f ö > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017FCEB6D8C0, 16 bytes long.
Data: <à f ö > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017FCEB6D410, 16 bytes long.
Data: < f ö > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017FCEB6D370, 16 bytes long.
Data: <p f ö > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017FCEB6D730, 16 bytes long.
Data: < Àd ö > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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