Task 38686744

Name test_367-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3082_0
Workunit 31628163
Created 28 Oct 2026, 4:08:57 UTC
Sent 28 Oct 2026, 4:09:00 UTC
Report deadline 2 Nov 2026, 4:09:00 UTC
Received 28 Oct 2026, 8:38:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 1 hours 53 min 21 sec
CPU time 1 hours 15 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.67 MB
Peak swap size 9.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:43:01 (30420): wrapper (7.9.26016): starting
15:43:01 (30420): 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
15:43:06 (30420): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:43:06 (30420): 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\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:\ProgramData\BOINC\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
17:34:14 (30420): C:/Windows/system32/cmd.exe exited; CPU time 4556.328125
17:34:14 (30420): 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: 94706301 bytes.
Dumping objects ->
{3835555} normal block at 0x0000018AE35F43D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000018AE35F4280, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000018AE35F4980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000018AE35F48A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000018AE35F4910, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000018AE56FA6F0, 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) : {3835467} normal block at 0x0000018AE35EDFB0, 8 bytes long.
 Data: <  &#201;     > 00 00 C9 E3 8A 01 00 00 
{3834045} normal block at 0x0000018AE35EE2D0, 8 bytes long.
 Data: <p&#216;]     > 70 D8 5D E3 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000018AE35F0520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018AE35E5840, 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 0x0000018AE35F5AC0, 16 bytes long.
 Data: <&#168;^_             > A8 5E 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018AE35F5250, 16 bytes long.
 Data: < ^_             > 80 5E 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018AE35EF8F0, 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 0x0000018AE35F50C0, 16 bytes long.
 Data: <X^_             > 58 5E 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018AE35F57F0, 16 bytes long.
 Data: <0^_             > 30 5E 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018AE35F5A20, 16 bytes long.
 Data: < ^_             > 08 5E 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018AE35F5B10, 16 bytes long.
 Data: < ]_             > E0 5D 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018AE35F4360, 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 0x0000018AE35F4E90, 16 bytes long.
 Data: < &#182;]             > 08 B6 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018AE35EFA70, 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 0x0000018AE35F5200, 16 bytes long.
 Data: < &#181;]             > E0 B5 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018AE35F59D0, 16 bytes long.
 Data: <&#184;&#181;]             > B8 B5 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018AE35F57A0, 16 bytes long.
 Data: < &#181;]             > 90 B5 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018AE35F51B0, 16 bytes long.
 Data: <h&#181;]             > 68 B5 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018AE35F4FD0, 16 bytes long.
 Data: <@&#181;]             > 40 B5 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018AE35F5750, 16 bytes long.
 Data: < &#181;]             > 18 B5 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018AE35EFB30, 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 0x0000018AE35F5020, 16 bytes long.
 Data: < &#180;]             > F0 B4 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018AE35DB4F0, 320 bytes long.
 Data: < P_     0 ^     > 20 50 5F E3 8A 01 00 00 30 FB 5E E3 8A 01 00 00 
{273} normal block at 0x0000018AE35F5700, 16 bytes long.
 Data: <&#192;]_             > C0 5D 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018AE35F5840, 16 bytes long.
 Data: < ]_             > 98 5D 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018AE35EF9B0, 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 0x0000018AE35F55C0, 16 bytes long.
 Data: <p]_             > 70 5D 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018AE35EF470, 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 0x0000018AE35F5660, 16 bytes long.
 Data: <&#184;\_             > B8 5C 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018AE35F58E0, 16 bytes long.
 Data: < \_             > 90 5C 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018AE35F5160, 16 bytes long.
 Data: <h\_             > 68 5C 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018AE35F5980, 16 bytes long.
 Data: <@\_             > 40 5C 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018AE35F5610, 16 bytes long.
 Data: < \_             > 18 5C 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018AE35F4D50, 16 bytes long.
 Data: < [_             > F0 5B 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018AE35F5890, 16 bytes long.
 Data: < B_             > F0 42 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018AE35F42F0, 40 bytes long.
 Data: < X_      &#166;o     > 90 58 5F E3 8A 01 00 00 F0 A6 6F E5 8A 01 00 00 
{259} normal block at 0x0000018AE35F5110, 16 bytes long.
 Data: <&#208;[_             > D0 5B 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018AE35F4C60, 16 bytes long.
 Data: <&#168;[_             > A8 5B 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018AE35EFAD0, 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 0x0000018AE35F5070, 16 bytes long.
 Data: < [_             > 80 5B 5F E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018AE35F5B80, 992 bytes long.
 Data: <pP_     &#208; ^     > 70 50 5F E3 8A 01 00 00 D0 FA 5E E3 8A 01 00 00 
{91} normal block at 0x0000018AE35EF2F0, 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 0x0000018AE35EE0F0, 16 bytes long.
 Data: <&#208;&#211;]             > D0 D3 5D E3 8A 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000018AE35DD3D0, 40 bytes long.
 Data: <  ^       ^     > F0 E0 5E E3 8A 01 00 00 F0 F2 5E E3 8A 01 00 00 
{66} normal block at 0x0000018AE35EED70, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018AE35EEB90, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018AE35EEBE0, 16 bytes long.
 Data: < W `            > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018AE35EE640, 16 bytes long.
 Data: <&#216;W `            > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018AE35EEB40, 16 bytes long.
 Data: <P  `            > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018AE35EE5F0, 16 bytes long.
 Data: <0  `            > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018AE35EE690, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018AE35EEAA0, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018AE35EDF60, 16 bytes long.
 Data: <p  `            > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018AE35EE820, 16 bytes long.
 Data: < &#192; `            > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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