Task 38686546
| Name | test_536-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4289_0 |
| Workunit | 31627976 |
| Created | 28 Oct 2026, 3:08:26 UTC |
| Sent | 28 Oct 2026, 3:08:32 UTC |
| Report deadline | 2 Nov 2026, 3:08:32 UTC |
| Received | 28 Oct 2026, 4:24:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653368 |
| Run time | 34 min 6 sec |
| CPU time | |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.81 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:50:28 (20924): wrapper (7.9.26016): starting
03:50:28 (20924): 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
03:50:29 (20924): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:50:29 (20924): 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:\BOINC2\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:\BOINC2\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
04:23:43 (20924): C:/Windows/system32/cmd.exe exited; CPU time 1997.484375
04:23:43 (20924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 37641133 bytes.
Dumping objects ->
{3835234} normal block at 0x000002675EBB2930, 48 bytes long.
Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835223} normal block at 0x0000026760974980, 32 bytes long.
Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835212} normal block at 0x00000267609743E0, 32 bytes long.
Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C
{3835201} normal block at 0x0000026760974620, 32 bytes long.
Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835190} normal block at 0x0000026760974440, 32 bytes long.
Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32
{3835159} normal block at 0x000002675EBB2F50, 48 bytes long.
Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835148} normal block at 0x000002676093C9C0, 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) : {3835145} normal block at 0x000002675EBAD5E0, 8 bytes long.
Data: < ¸^g > 00 00 B8 5E 67 02 00 00
{3834543} normal block at 0x000002676093CB20, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000002675EBAD0E0, 8 bytes long.
Data: <Ðêƒ`g > D0 EA 83 60 67 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002675EBAF0B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002675EBA68C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002675EBB3FB0, 16 bytes long.
Data: <HG»^g > 48 47 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002675EBB3380, 16 bytes long.
Data: < G»^g > 20 47 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002675EBAE340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002675EBB32E0, 16 bytes long.
Data: <øF»^g > F8 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002675EBB3290, 16 bytes long.
Data: <ÐF»^g > D0 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002675EBB3F60, 16 bytes long.
Data: <¨F»^g > A8 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002675EBB35B0, 16 bytes long.
Data: < F»^g > 80 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002675EBB2A80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002675EBB3C40, 16 bytes long.
Data: <H º^g > 48 90 BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002675EBADE00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002675EBB3BA0, 16 bytes long.
Data: < º^g > 20 90 BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002675EBB3830, 16 bytes long.
Data: <ø º^g > F8 8F BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002675EBB3240, 16 bytes long.
Data: <Ð º^g > D0 8F BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002675EBB38D0, 16 bytes long.
Data: <¨ º^g > A8 8F BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002675EBB3060, 16 bytes long.
Data: < º^g > 80 8F BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002675EBB3E20, 16 bytes long.
Data: <X º^g > 58 8F BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002675EBAE460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002675EBB3AB0, 16 bytes long.
Data: <0 º^g > 30 8F BA 5E 67 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002675EBA8F30, 320 bytes long.
Data: <°:»^g `äº^g > B0 3A BB 5E 67 02 00 00 60 E4 BA 5E 67 02 00 00
{277} normal block at 0x000002675EBB31A0, 16 bytes long.
Data: <`F»^g > 60 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002675EBB3970, 16 bytes long.
Data: <8F»^g > 38 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002675EBADB60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002675EBB3B50, 16 bytes long.
Data: < F»^g > 10 46 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002675EBAE2E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002675EBB3420, 16 bytes long.
Data: <XE»^g > 58 45 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002675EBB3F10, 16 bytes long.
Data: <0E»^g > 30 45 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002675EBB36A0, 16 bytes long.
Data: < E»^g > 08 45 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002675EBB31F0, 16 bytes long.
Data: <àD»^g > E0 44 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002675EBB30B0, 16 bytes long.
Data: <¸D»^g > B8 44 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002675EBB3D30, 16 bytes long.
Data: < D»^g > 90 44 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002675EBB3DD0, 16 bytes long.
Data: < *»^g > 10 2A BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002675EBB2A10, 40 bytes long.
Data: <Ð=»^g P/»^g > D0 3D BB 5E 67 02 00 00 50 2F BB 5E 67 02 00 00
{263} normal block at 0x000002675EBB3510, 16 bytes long.
Data: <pD»^g > 70 44 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002675EBB3470, 16 bytes long.
Data: <HD»^g > 48 44 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002675EBADAA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002675EBB3150, 16 bytes long.
Data: < D»^g > 20 44 BB 5E 67 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002675EBB4420, 992 bytes long.
Data: <P1»^g  Úº^g > 50 31 BB 5E 67 02 00 00 A0 DA BA 5E 67 02 00 00
{95} normal block at 0x000002675EBAE520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002675EBACD20, 16 bytes long.
Data: <ðä¹^g > F0 E4 B9 5E 67 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002675EB9E4F0, 40 bytes long.
Data: < ͺ^g åº^g > 20 CD BA 5E 67 02 00 00 20 E5 BA 5E 67 02 00 00
{72} normal block at 0x000002675EBAD040, 16 bytes long.
Data: < ê Õ÷ > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002675EBACF00, 16 bytes long.
Data: <@é Õ÷ > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002675EBACBE0, 16 bytes long.
Data: <øWÿÔ÷ > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002675EBAD090, 16 bytes long.
Data: <ØWÿÔ÷ > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002675EBAD590, 16 bytes long.
Data: <P ÿÔ÷ > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002675EBAD540, 16 bytes long.
Data: <0 ÿÔ÷ > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002675EBAC910, 16 bytes long.
Data: <à ÿÔ÷ > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002675EBAD3B0, 16 bytes long.
Data: < ÿÔ÷ > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002675EBAD220, 16 bytes long.
Data: <p ÿÔ÷ > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002675EBACB40, 16 bytes long.
Data: < ÀýÔ÷ > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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