Task 38665171
| Name | test_191-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4857_1 |
| Workunit | 31608206 |
| Created | 25 Oct 2026, 0:46:47 UTC |
| Sent | 25 Oct 2026, 0:50:03 UTC |
| Report deadline | 30 Oct 2026, 0:50:03 UTC |
| Received | 25 Oct 2026, 1:48:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604231 |
| Run time | 24 min 40 sec |
| CPU time | 24 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.07 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:21:23 (18220): wrapper (7.9.26016): starting
20:21:23 (18220): 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
20:21:24 (18220): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:21:24 (18220): 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 'M:\BOINC\slots\27\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 'M:\BOINC\slots\27\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
20:46:19 (18220): C:/Windows/system32/cmd.exe exited; CPU time 1480.265625
20:46:19 (18220): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 24098123 bytes.
Dumping objects ->
{3835626} normal block at 0x0000019F352B5070, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835615} normal block at 0x0000019F36FE04A0, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835604} normal block at 0x0000019F36FDF9C0, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835593} normal block at 0x0000019F36FE0CE0, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835582} normal block at 0x0000019F36FE0440, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835551} normal block at 0x0000019F352B5000, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835540} normal block at 0x0000019F352AA790, 200 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) : {3835537} normal block at 0x0000019F352ADAE0, 8 bytes long.
Data: < †5Ÿ > 00 00 86 35 9F 01 00 00
{3834737} normal block at 0x0000019F352AA8A0, 200 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 0x0000019F352AD9A0, 8 bytes long.
Data: <°ãê6Ÿ > B0 E3 EA 36 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019F352B19F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019F352A5DB0, 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 0x0000019F352B58C0, 16 bytes long.
Data: <Øh+5Ÿ > D8 68 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019F352B57D0, 16 bytes long.
Data: <°h+5Ÿ > B0 68 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019F352AF7E0, 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 0x0000019F352B5960, 16 bytes long.
Data: < h+5Ÿ > 88 68 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019F352B5A00, 16 bytes long.
Data: <`h+5Ÿ > 60 68 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019F352B64F0, 16 bytes long.
Data: <8h+5Ÿ > 38 68 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019F352B5F50, 16 bytes long.
Data: < h+5Ÿ > 10 68 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019F352B4EB0, 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 0x0000019F352B6220, 16 bytes long.
Data: <(õ)5Ÿ > 28 F5 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019F352AEFA0, 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 0x0000019F352B6540, 16 bytes long.
Data: < õ)5Ÿ > 00 F5 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019F352B6130, 16 bytes long.
Data: <Øô)5Ÿ > D8 F4 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019F352B6400, 16 bytes long.
Data: <°ô)5Ÿ > B0 F4 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019F352B5D20, 16 bytes long.
Data: < ô)5Ÿ > 88 F4 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019F352B64A0, 16 bytes long.
Data: <`ô)5Ÿ > 60 F4 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019F352B5730, 16 bytes long.
Data: <8ô)5Ÿ > 38 F4 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019F352AF5A0, 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 0x0000019F352B63B0, 16 bytes long.
Data: < ô)5Ÿ > 10 F4 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019F3529F410, 320 bytes long.
Data: <°c+5Ÿ  õ*5Ÿ > B0 63 2B 35 9F 01 00 00 A0 F5 2A 35 9F 01 00 00
{277} normal block at 0x0000019F352B60E0, 16 bytes long.
Data: <ðg+5Ÿ > F0 67 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019F352B5DC0, 16 bytes long.
Data: <Èg+5Ÿ > C8 67 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019F352AF840, 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 0x0000019F352B5AF0, 16 bytes long.
Data: < g+5Ÿ > A0 67 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019F352AF480, 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 0x0000019F352B56E0, 16 bytes long.
Data: <èf+5Ÿ > E8 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019F352B55F0, 16 bytes long.
Data: <Àf+5Ÿ > C0 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019F352B6270, 16 bytes long.
Data: < f+5Ÿ > 98 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019F352B5910, 16 bytes long.
Data: <pf+5Ÿ > 70 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019F352B5690, 16 bytes long.
Data: <Hf+5Ÿ > 48 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019F352B5870, 16 bytes long.
Data: < f+5Ÿ > 20 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019F352B62C0, 16 bytes long.
Data: <`M+5Ÿ > 60 4D 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019F352B4D60, 40 bytes long.
Data: <Àb+5Ÿ P+5Ÿ > C0 62 2B 35 9F 01 00 00 00 50 2B 35 9F 01 00 00
{263} normal block at 0x0000019F352B5780, 16 bytes long.
Data: < f+5Ÿ > 00 66 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019F352B6040, 16 bytes long.
Data: <Øe+5Ÿ > D8 65 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019F352AF780, 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 0x0000019F352B5EB0, 16 bytes long.
Data: <°e+5Ÿ > B0 65 2B 35 9F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019F352B65B0, 992 bytes long.
Data: <°^+5Ÿ ÷*5Ÿ > B0 5E 2B 35 9F 01 00 00 80 F7 2A 35 9F 01 00 00
{95} normal block at 0x0000019F352AF420, 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 0x0000019F352ADE00, 16 bytes long.
Data: <Àç)5Ÿ > C0 E7 29 35 9F 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000019F3529E7C0, 40 bytes long.
Data: < Þ*5Ÿ ô*5Ÿ > 00 DE 2A 35 9F 01 00 00 20 F4 2A 35 9F 01 00 00
{72} normal block at 0x0000019F352AD360, 16 bytes long.
Data: < ê×Z÷ > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019F352AE260, 16 bytes long.
Data: <@é×Z÷ > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019F352ADA90, 16 bytes long.
Data: <øWÔZ÷ > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019F352ADEA0, 16 bytes long.
Data: <ØWÔZ÷ > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019F352AD540, 16 bytes long.
Data: <P ÔZ÷ > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019F352AD950, 16 bytes long.
Data: <0 ÔZ÷ > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019F352ADCC0, 16 bytes long.
Data: <à ÔZ÷ > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019F352AD860, 16 bytes long.
Data: < ÔZ÷ > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019F352ADF40, 16 bytes long.
Data: <p ÔZ÷ > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019F352AE080, 16 bytes long.
Data: < ÀÒZ÷ > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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