Task 38665674
| Name | test_854-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0561_0 |
| Workunit | 31608748 |
| Created | 25 Oct 2026, 1:23:56 UTC |
| Sent | 25 Oct 2026, 1:33:42 UTC |
| Report deadline | 30 Oct 2026, 1:33:42 UTC |
| Received | 25 Oct 2026, 2:32:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625666 |
| Run time | 36 min 18 sec |
| CPU time | 32 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.83 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:56:39 (2164): wrapper (7.9.26016): starting
20:56:39 (2164): 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
20:56:53 (2164): Library/usr/bin/tar.exe exited; CPU time 0.078125
20:56:53 (2164): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
21:30:39 (2164): C:/Windows/system32/cmd.exe exited; CPU time 1979.375000
21:30:39 (2164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 36794920 bytes.
Dumping objects ->
{3835291} normal block at 0x000001ACF17A0990, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835280} normal block at 0x000001ACF18E54D0, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835269} normal block at 0x000001ACF18E5350, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835258} normal block at 0x000001ACF18E5470, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835247} normal block at 0x000001ACF18E5B90, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x000001ACF17A0D80, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835205} normal block at 0x000001ACF184DBF0, 85 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) : {3835202} normal block at 0x000001ACEFB96C80, 8 bytes long.
Data: < ^ñ¬ > 00 00 5E F1 AC 01 00 00
{3834574} normal block at 0x000001ACF184D290, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001ACEFB97220, 8 bytes long.
Data: <°rŠñ¬ > B0 72 8A F1 AC 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001ACEFBA0990, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001ACEFB8B3F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001ACEFBA2740, 16 bytes long.
Data: <Ø?ºï¬ > D8 3F BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001ACEFBA2510, 16 bytes long.
Data: <°?ºï¬ > B0 3F BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001ACEFB9C2A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001ACEFBA1AC0, 16 bytes long.
Data: < ?ºï¬ > 88 3F BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ACEFBA26A0, 16 bytes long.
Data: <`?ºï¬ > 60 3F BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ACEFBA2240, 16 bytes long.
Data: <8?ºï¬ > 38 3F BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ACEFBA1C00, 16 bytes long.
Data: < ?ºï¬ > 10 3F BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ACEFB9D7B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001ACEFBA26F0, 16 bytes long.
Data: <È¿¸ï¬ > C8 BF B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ACEFB9BFA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001ACEFBA2100, 16 bytes long.
Data: < ¿¸ï¬ > A0 BF B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ACEFBA24C0, 16 bytes long.
Data: <x¿¸ï¬ > 78 BF B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ACEFBA2380, 16 bytes long.
Data: <P¿¸ï¬ > 50 BF B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ACEFBA1BB0, 16 bytes long.
Data: <(¿¸ï¬ > 28 BF B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ACEFBA20B0, 16 bytes long.
Data: < ¿¸ï¬ > 00 BF B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ACEFBA2150, 16 bytes long.
Data: <ؾ¸ï¬ > D8 BE B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ACEFB9C000, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001ACEFBA2060, 16 bytes long.
Data: <°¾¸ï¬ > B0 BE B8 EF AC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ACEFB8BEB0, 320 bytes long.
Data: <` ºï¬ À¹ï¬ > 60 20 BA EF AC 01 00 00 00 C0 B9 EF AC 01 00 00
{278} normal block at 0x000001ACEFBA1FC0, 16 bytes long.
Data: <ð>ºï¬ > F0 3E BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ACEFBA21A0, 16 bytes long.
Data: <È>ºï¬ > C8 3E BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ACEFB9B9A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001ACEFBA1C50, 16 bytes long.
Data: < >ºï¬ > A0 3E BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ACEFB9C600, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001ACEFBA2830, 16 bytes long.
Data: <è=ºï¬ > E8 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ACEFBA2290, 16 bytes long.
Data: <À=ºï¬ > C0 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ACEFBA18E0, 16 bytes long.
Data: < =ºï¬ > 98 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ACEFBA21F0, 16 bytes long.
Data: <p=ºï¬ > 70 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ACEFBA25B0, 16 bytes long.
Data: <H=ºï¬ > 48 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ACEFBA1F70, 16 bytes long.
Data: < =ºï¬ > 20 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ACEFBA1E80, 16 bytes long.
Data: <ÀÚ¹ï¬ > C0 DA B9 EF AC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ACEFB9DAC0, 40 bytes long.
Data: < ºï¬ zñ¬ > 80 1E BA EF AC 01 00 00 80 0D 7A F1 AC 01 00 00
{264} normal block at 0x000001ACEFBA1E30, 16 bytes long.
Data: < =ºï¬ > 00 3D BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ACEFBA1ED0, 16 bytes long.
Data: <Ø<ºï¬ > D8 3C BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ACEFB9BF40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001ACEFBA1D90, 16 bytes long.
Data: <°<ºï¬ > B0 3C BA EF AC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ACEFBA3CB0, 992 bytes long.
Data: < ºï¬ @¿¹ï¬ > 90 1D BA EF AC 01 00 00 40 BF B9 EF AC 01 00 00
{96} normal block at 0x000001ACEFB9C5A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001ACEFB96FA0, 16 bytes long.
Data: <@×¹ï¬ > 40 D7 B9 EF AC 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001ACEFB9D740, 40 bytes long.
Data: < o¹ï¬  Å¹ï¬ > A0 6F B9 EF AC 01 00 00 A0 C5 B9 EF AC 01 00 00
{73} normal block at 0x000001ACEFB96AF0, 16 bytes long.
Data: < êÒ–ö > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001ACEFB96DC0, 16 bytes long.
Data: <@éÒ–ö > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001ACEFB97810, 16 bytes long.
Data: <øWÏ–ö > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ACEFB97540, 16 bytes long.
Data: <ØWÏ–ö > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ACEFB97450, 16 bytes long.
Data: <P Ï–ö > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ACEFB96FF0, 16 bytes long.
Data: <0 Ï–ö > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ACEFB96AA0, 16 bytes long.
Data: <à Ï–ö > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ACEFB979A0, 16 bytes long.
Data: < Ï–ö > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ACEFB971D0, 16 bytes long.
Data: <p Ï–ö > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ACEFB97950, 16 bytes long.
Data: < ÀÍ–ö > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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