Task 38679557
| Name | test_597-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5344_0 |
| Workunit | 31621329 |
| Created | 26 Oct 2026, 20:57:37 UTC |
| Sent | 26 Oct 2026, 20:57:42 UTC |
| Report deadline | 31 Oct 2026, 20:57:42 UTC |
| Received | 27 Oct 2026, 19:43:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652367 |
| Run time | 58 min 31 sec |
| CPU time | 53 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 24,724.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.02 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:46:34 (29808): wrapper (7.9.26016): starting
21:46:34 (29808): 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
21:46:36 (29808): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:46:36 (29808): 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\25\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\25\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
22:42:31 (29808): C:/Windows/system32/cmd.exe exited; CPU time 3224.406250
22:42:31 (29808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 75508031 bytes.
Dumping objects ->
{3835530} normal block at 0x0000017710F6D590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835519} normal block at 0x0000017710F6D750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x0000017710F6D4B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835497} normal block at 0x0000017710F6D0C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x0000017710F6DD00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835455} normal block at 0x0000017712DB93E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835444} normal block at 0x0000017712DD2450, 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) : {3835441} normal block at 0x0000017710F3F880, 8 bytes long.
Data: < V w > 00 00 56 11 77 01 00 00
{3834698} normal block at 0x0000017712DD2660, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000017710F3F740, 8 bytes long.
Data: < ìò w > 00 EC F2 10 77 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017710F3CD40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000017710F35FB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000017710F4A000, 16 bytes long.
Data: <X¬ô w > 58 AC F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000017710F4A2D0, 16 bytes long.
Data: <0¬ô w > 30 AC F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000017710F44440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000017710F4A320, 16 bytes long.
Data: < ¬ô w > 08 AC F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000017710F4A0F0, 16 bytes long.
Data: <à«ô w > E0 AB F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017710F49FB0, 16 bytes long.
Data: <¸«ô w > B8 AB F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017710F49A60, 16 bytes long.
Data: < «ô w > 90 AB F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017710F45AE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000017710F49BA0, 16 bytes long.
Data: <8òò w > 38 F2 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017710F445C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000017710F4A640, 16 bytes long.
Data: < òò w > 10 F2 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017710F4A7D0, 16 bytes long.
Data: <èñò w > E8 F1 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017710F49A10, 16 bytes long.
Data: <Àñò w > C0 F1 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017710F49C90, 16 bytes long.
Data: < ñò w > 98 F1 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017710F4A460, 16 bytes long.
Data: <pñò w > 70 F1 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017710F4A5F0, 16 bytes long.
Data: <Hñò w > 48 F1 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017710F438A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000017710F49CE0, 16 bytes long.
Data: < ñò w > 20 F1 F2 10 77 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017710F2F120, 320 bytes long.
Data: <àœô w  8ô w > E0 9C F4 10 77 01 00 00 A0 38 F4 10 77 01 00 00
{280} normal block at 0x0000017710F4A0A0, 16 bytes long.
Data: <p«ô w > 70 AB F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017710F4A5A0, 16 bytes long.
Data: <H«ô w > 48 AB F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017710F43B40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000017710F499C0, 16 bytes long.
Data: < «ô w > 20 AB F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017710F43A80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000017710F4A1E0, 16 bytes long.
Data: <hªô w > 68 AA F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017710F49970, 16 bytes long.
Data: <@ªô w > 40 AA F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017710F4A780, 16 bytes long.
Data: < ªô w > 18 AA F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017710F49AB0, 16 bytes long.
Data: <ð©ô w > F0 A9 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017710F49DD0, 16 bytes long.
Data: <È©ô w > C8 A9 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017710F4A190, 16 bytes long.
Data: < ©ô w > A0 A9 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017710F4A410, 16 bytes long.
Data: <ÐWô w > D0 57 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017710F457D0, 40 bytes long.
Data: < ¤ô w à“Û w > 10 A4 F4 10 77 01 00 00 E0 93 DB 12 77 01 00 00
{266} normal block at 0x0000017710F4A230, 16 bytes long.
Data: < ©ô w > 80 A9 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017710F4A3C0, 16 bytes long.
Data: <X©ô w > 58 A9 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017710F43D20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000017710F4A730, 16 bytes long.
Data: <0©ô w > 30 A9 F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017710F4A930, 992 bytes long.
Data: <0§ô w =ô w > 30 A7 F4 10 77 01 00 00 20 3D F4 10 77 01 00 00
{98} normal block at 0x0000017710F43CC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000017710F403C0, 16 bytes long.
Data: < ]ô w > 80 5D F4 10 77 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000017710F45D80, 40 bytes long.
Data: <À ô w À<ô w > C0 03 F4 10 77 01 00 00 C0 3C F4 10 77 01 00 00
{75} normal block at 0x0000017710F40370, 16 bytes long.
Data: < ê Z÷ > 80 EA 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000017710F40280, 16 bytes long.
Data: <@é Z÷ > 40 E9 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000017710F40230, 16 bytes long.
Data: <øW Z÷ > F8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017710F40190, 16 bytes long.
Data: <ØW Z÷ > D8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017710F40320, 16 bytes long.
Data: <P Z÷ > 50 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017710F3FF60, 16 bytes long.
Data: <0 Z÷ > 30 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017710F401E0, 16 bytes long.
Data: <à Z÷ > E0 02 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017710F3FEC0, 16 bytes long.
Data: < Z÷ > 10 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017710F3FE70, 16 bytes long.
Data: <p Z÷ > 70 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017710F402D0, 16 bytes long.
Data: < À Z÷ > 18 C0 14 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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