Task 38686171
| Name | test_536-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4289_0 |
| Workunit | 31627609 |
| Created | 28 Oct 2026, 1:05:41 UTC |
| Sent | 28 Oct 2026, 1:05:46 UTC |
| Report deadline | 2 Nov 2026, 1:05:46 UTC |
| Received | 28 Oct 2026, 3:08:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653368 |
| Run time | 34 min 16 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 | 754.40 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>
02:33:53 (8708): wrapper (7.9.26016): starting
02:33:53 (8708): 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
02:33:54 (8708): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:33:54 (8708): 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
03:07:08 (8708): C:/Windows/system32/cmd.exe exited; CPU time 2005.968750
03:07:08 (8708): 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: 37548275 bytes.
Dumping objects ->
{3835234} normal block at 0x0000024AB92D2DA0, 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 0x0000024ABB1A4380, 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 0x0000024ABB1A4680, 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 0x0000024ABB1A3EA0, 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 0x0000024ABB1A4620, 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 0x0000024AB92D2C50, 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 0x0000024ABB16CBE0, 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 0x0000024AB92CD7D0, 8 bytes long.
Data: < ~¹J > 00 00 7E B9 4A 02 00 00
{3834543} normal block at 0x0000024ABB16C9D0, 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 0x0000024AB92CD1E0, 8 bytes long.
Data: <pè »J > 70 E8 06 BB 4A 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024AB92CEE40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024AB92C6690, 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 0x0000024AB92D3520, 16 bytes long.
Data: <XG-¹J > 58 47 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024AB92D34D0, 16 bytes long.
Data: <0G-¹J > 30 47 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024AB92CE2F0, 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 0x0000024AB92D3B10, 16 bytes long.
Data: < G-¹J > 08 47 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024AB92D3D90, 16 bytes long.
Data: <àF-¹J > E0 46 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024AB92D3430, 16 bytes long.
Data: <¸F-¹J > B8 46 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024AB92D33E0, 16 bytes long.
Data: < F-¹J > 90 46 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024AB92D2940, 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 0x0000024AB92D3480, 16 bytes long.
Data: <ÈÆ,¹J > C8 C6 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024AB92CE1D0, 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 0x0000024AB92D32A0, 16 bytes long.
Data: < Æ,¹J > A0 C6 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024AB92D3250, 16 bytes long.
Data: <xÆ,¹J > 78 C6 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024AB92D3390, 16 bytes long.
Data: <PÆ,¹J > 50 C6 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024AB92D3C00, 16 bytes long.
Data: <(Æ,¹J > 28 C6 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024AB92D3BB0, 16 bytes long.
Data: < Æ,¹J > 00 C6 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024AB92D3A70, 16 bytes long.
Data: <ØÅ,¹J > D8 C5 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024AB92CE770, 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 0x0000024AB92D30C0, 16 bytes long.
Data: <°Å,¹J > B0 C5 2C B9 4A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024AB92CC5B0, 320 bytes long.
Data: <À0-¹J pç,¹J > C0 30 2D B9 4A 02 00 00 70 E7 2C B9 4A 02 00 00
{277} normal block at 0x0000024AB92D3750, 16 bytes long.
Data: <pF-¹J > 70 46 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024AB92D3CA0, 16 bytes long.
Data: <HF-¹J > 48 46 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024AB92CE3B0, 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 0x0000024AB92D3ED0, 16 bytes long.
Data: < F-¹J > 20 46 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024AB92CE350, 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 0x0000024AB92D3700, 16 bytes long.
Data: <hE-¹J > 68 45 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024AB92D32F0, 16 bytes long.
Data: <@E-¹J > 40 45 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024AB92D3110, 16 bytes long.
Data: < E-¹J > 18 45 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024AB92D37A0, 16 bytes long.
Data: <ðD-¹J > F0 44 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024AB92D3F20, 16 bytes long.
Data: <ÈD-¹J > C8 44 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024AB92D3D40, 16 bytes long.
Data: < D-¹J > A0 44 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024AB92D3200, 16 bytes long.
Data: <0--¹J > 30 2D 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024AB92D2D30, 40 bytes long.
Data: < 2-¹J P,-¹J > 00 32 2D B9 4A 02 00 00 50 2C 2D B9 4A 02 00 00
{263} normal block at 0x0000024AB92D3A20, 16 bytes long.
Data: < D-¹J > 80 44 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024AB92D38E0, 16 bytes long.
Data: <XD-¹J > 58 44 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024AB92CE590, 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 0x0000024AB92D3070, 16 bytes long.
Data: <0D-¹J > 30 44 2D B9 4A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024AB92D4430, 992 bytes long.
Data: <p0-¹J å,¹J > 70 30 2D B9 4A 02 00 00 90 E5 2C B9 4A 02 00 00
{95} normal block at 0x0000024AB92CDD50, 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 0x0000024AB92CD500, 16 bytes long.
Data: <0î+¹J > 30 EE 2B B9 4A 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000024AB92BEE30, 40 bytes long.
Data: < Õ,¹J PÝ,¹J > 00 D5 2C B9 4A 02 00 00 50 DD 2C B9 4A 02 00 00
{72} normal block at 0x0000024AB92CCC90, 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 0x0000024AB92CCC40, 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 0x0000024AB92CC970, 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 0x0000024AB92CCBF0, 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 0x0000024AB92CCA60, 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 0x0000024AB92CCF10, 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 0x0000024AB92CCE70, 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 0x0000024AB92CD5F0, 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 0x0000024AB92CD640, 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 0x0000024AB92CD6E0, 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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