Task 38670401
| Name | test_211-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9738_0 |
| Workunit | 31612653 |
| Created | 25 Oct 2026, 17:24:42 UTC |
| Sent | 25 Oct 2026, 17:24:44 UTC |
| Report deadline | 30 Oct 2026, 17:24:44 UTC |
| Received | 25 Oct 2026, 18:37:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641314 |
| Run time | 23 min 57 sec |
| CPU time | 22 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,855.79 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.61 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:14:31 (6192): wrapper (7.9.26016): starting
12:14:31 (6192): 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
12:14:32 (6192): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:14:32 (6192): 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\4\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\4\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
12:37:34 (6192): C:/Windows/system32/cmd.exe exited; CPU time 1331.187500
12:37:34 (6192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 22951013 bytes.
Dumping objects ->
{3835193} normal block at 0x000001FA19C80B50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001FA19C80DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x000001FA19C80AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x000001FA19C80990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x000001FA19C80920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x000001FA19D77AF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835105} normal block at 0x000001FA17FBF500, 8 bytes long.
Data: < I ú > 00 00 49 18 FA 01 00 00
{3833955} normal block at 0x000001FA17FBEFB0, 8 bytes long.
Data: <ðBÝ ú > F0 42 DD 19 FA 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001FA17FC0D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FA17FB6DD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001FA17FC52D0, 16 bytes long.
Data: <È^ü ú > C8 5E FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FA17FC5230, 16 bytes long.
Data: < ^ü ú > A0 5E FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FA17FBF9A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001FA17FC5280, 16 bytes long.
Data: <x^ü ú > 78 5E FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FA17FC50F0, 16 bytes long.
Data: <P^ü ú > 50 5E FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FA17FC4B50, 16 bytes long.
Data: <(^ü ú > 28 5E FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FA17FC49C0, 16 bytes long.
Data: < ^ü ú > 00 5E FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FA17FAED20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001FA17FC5050, 16 bytes long.
Data: <Hµú ú > 48 B5 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FA17FC02A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001FA17FC5000, 16 bytes long.
Data: < µú ú > 20 B5 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FA17FC5500, 16 bytes long.
Data: <ø´ú ú > F8 B4 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FA17FC4A60, 16 bytes long.
Data: <дú ú > D0 B4 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FA17FC4F10, 16 bytes long.
Data: <¨´ú ú > A8 B4 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FA17FC4D30, 16 bytes long.
Data: < ´ú ú > 80 B4 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FA17FC4CE0, 16 bytes long.
Data: <X´ú ú > 58 B4 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FA17FC0480, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001FA17FC5690, 16 bytes long.
Data: <0´ú ú > 30 B4 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FA17FAB430, 320 bytes long.
Data: < Vü ú ü ú > 90 56 FC 17 FA 01 00 00 80 04 FC 17 FA 01 00 00
{273} normal block at 0x000001FA17FC4FB0, 16 bytes long.
Data: <à]ü ú > E0 5D FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FA17FC50A0, 16 bytes long.
Data: <¸]ü ú > B8 5D FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FA17FBFEE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001FA17FC4E70, 16 bytes long.
Data: < ]ü ú > 90 5D FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FA17FBFE80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001FA17FC47E0, 16 bytes long.
Data: <Ø\ü ú > D8 5C FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FA17FC55F0, 16 bytes long.
Data: <°\ü ú > B0 5C FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FA17FC51E0, 16 bytes long.
Data: < \ü ú > 88 5C FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FA17FC4AB0, 16 bytes long.
Data: <`\ü ú > 60 5C FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FA17FC4C90, 16 bytes long.
Data: <8\ü ú > 38 5C FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FA17FC5640, 16 bytes long.
Data: < \ü ú > 10 5C FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FA17FC55A0, 16 bytes long.
Data: < íú ú > 90 ED FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FA17FAED90, 40 bytes long.
Data: < Uü ú ðz× ú > A0 55 FC 17 FA 01 00 00 F0 7A D7 19 FA 01 00 00
{259} normal block at 0x000001FA17FC53C0, 16 bytes long.
Data: <ð[ü ú > F0 5B FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FA17FC4EC0, 16 bytes long.
Data: <È[ü ú > C8 5B FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FA17FBF880, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001FA17FC4E20, 16 bytes long.
Data: < [ü ú > A0 5B FC 17 FA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001FA17FC5BA0, 992 bytes long.
Data: < Nü ú øû ú > 20 4E FC 17 FA 01 00 00 80 F8 FB 17 FA 01 00 00
{91} normal block at 0x000001FA17FC03C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001FA17FBEAB0, 16 bytes long.
Data: <°Æú ú > B0 C6 FA 17 FA 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001FA17FAC6B0, 40 bytes long.
Data: <°êû ú À ü ú > B0 EA FB 17 FA 01 00 00 C0 03 FC 17 FA 01 00 00
{68} normal block at 0x000001FA17FBE880, 16 bytes long.
Data: < ê Wö > 80 EA 17 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FA17FBEE70, 16 bytes long.
Data: <@é Wö > 40 E9 17 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FA17FBF370, 16 bytes long.
Data: <øW Wö > F8 57 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FA17FBE920, 16 bytes long.
Data: <ØW Wö > D8 57 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FA17FBEF10, 16 bytes long.
Data: <P Wö > 50 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FA17FBF320, 16 bytes long.
Data: <0 Wö > 30 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FA17FBF2D0, 16 bytes long.
Data: <à Wö > E0 02 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FA17FBEEC0, 16 bytes long.
Data: < Wö > 10 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FA17FBE970, 16 bytes long.
Data: <p Wö > 70 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FA17FBF5A0, 16 bytes long.
Data: < À Wö > 18 C0 12 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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