Task 38695647

Name test_951-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0708_0
Workunit 31636334
Created 31 Oct 2026, 13:25:25 UTC
Sent 31 Oct 2026, 13:25:33 UTC
Report deadline 5 Nov 2026, 13:25:33 UTC
Received 2 Nov 2026, 10:28:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 4 min 10 sec
CPU time 56 min 33 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 648.75 MB
Peak swap size 2.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:25:40 (11624): wrapper (7.9.26016): starting
10:25:40 (11624): 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
10:25:43 (11624): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:25:43 (11624): 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\1\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\1\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
11:27:14 (11624): C:/Windows/system32/cmd.exe exited; CPU time 3393.562500
11:27:14 (11624): 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: 50902745 bytes.
Dumping objects ->
{3835416} normal block at 0x00000201679A11E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x00000201679A1480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x00000201679A0F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x00000201679A1170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000201679A0C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x0000020167A6BDC0, 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) : {3835328} normal block at 0x00000201660069A0, 8 bytes long.
 Data: <  &#253;e    > 00 00 FD 65 01 02 00 00 
{3833949} normal block at 0x0000020166006EA0, 8 bytes long.
 Data: <p &#181;g    > 70 80 B5 67 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002016600C330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020165FF5C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020166012730, 16 bytes long.
 Data: <&#232;6 f            > E8 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020166012CD0, 16 bytes long.
 Data: <&#192;6 f            > C0 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002016600C900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000201660126E0, 16 bytes long.
 Data: < 6 f            > 98 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000201660127D0, 16 bytes long.
 Data: <p6 f            > 70 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020166012690, 16 bytes long.
 Data: <H6 f            > 48 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020166012640, 16 bytes long.
 Data: < 6 f            > 20 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002016600B240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000201660125F0, 16 bytes long.
 Data: < \ e            > 08 5C FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002016600D020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020166012E60, 16 bytes long.
 Data: <&#224;[ e            > E0 5B FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020166012500, 16 bytes long.
 Data: <&#184;[ e            > B8 5B FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000201660124B0, 16 bytes long.
 Data: < [ e            > 90 5B FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020166012C30, 16 bytes long.
 Data: <h[ e            > 68 5B FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020166012820, 16 bytes long.
 Data: <@[ e            > 40 5B FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000201660129B0, 16 bytes long.
 Data: < [ e            > 18 5B FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002016600C8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020166012320, 16 bytes long.
 Data: <&#240;Z e            > F0 5A FF 65 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020165FF5AF0, 320 bytes long.
 Data: < # f    &#160;&#200; f    > 20 23 01 66 01 02 00 00 A0 C8 00 66 01 02 00 00 
{270} normal block at 0x00000201660125A0, 16 bytes long.
 Data: < 6 f            > 00 36 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020166012280, 16 bytes long.
 Data: <&#216;5 f            > D8 35 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002016600D0E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020166012230, 16 bytes long.
 Data: <&#176;5 f            > B0 35 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002016600CC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020166012460, 16 bytes long.
 Data: <&#248;4 f            > F8 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020166012BE0, 16 bytes long.
 Data: <&#208;4 f            > D0 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000201660121E0, 16 bytes long.
 Data: <&#168;4 f            > A8 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000201660120A0, 16 bytes long.
 Data: < 4 f            > 80 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020166012C80, 16 bytes long.
 Data: <X4 f            > 58 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020166012F00, 16 bytes long.
 Data: <04 f            > 30 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020166012910, 16 bytes long.
 Data: <p&#180; f            > 70 B4 00 66 01 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002016600B470, 40 bytes long.
 Data: < ) f    &#192; &#166;g    > 10 29 01 66 01 02 00 00 C0 BD A6 67 01 02 00 00 
{256} normal block at 0x0000020166012B90, 16 bytes long.
 Data: < 4 f            > 10 34 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020166012960, 16 bytes long.
 Data: <&#232;3 f            > E8 33 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002016600CBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020166012410, 16 bytes long.
 Data: <&#192;3 f            > C0 33 01 66 01 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000201660133C0, 992 bytes long.
 Data: < $ f    &#160;&#203; f    > 10 24 01 66 01 02 00 00 A0 CB 00 66 01 02 00 00 
{88} normal block at 0x000002016600D080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000201660067C0, 16 bytes long.
 Data: < &#180; f            > 00 B4 00 66 01 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002016600B400, 40 bytes long.
 Data: <&#192;g f     &#208; f    > C0 67 00 66 01 02 00 00 80 D0 00 66 01 02 00 00 
{65} normal block at 0x0000020166006DB0, 16 bytes long.
 Data: < &#234;&#241;T&#246;           > 80 EA F1 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020166007120, 16 bytes long.
 Data: <@&#233;&#241;T&#246;           > 40 E9 F1 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020166006AE0, 16 bytes long.
 Data: <&#248;W&#238;T&#246;           > F8 57 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020166006FE0, 16 bytes long.
 Data: <&#216;W&#238;T&#246;           > D8 57 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020166006630, 16 bytes long.
 Data: <P &#238;T&#246;           > 50 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000201660068B0, 16 bytes long.
 Data: <0 &#238;T&#246;           > 30 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020166006D10, 16 bytes long.
 Data: <&#224; &#238;T&#246;           > E0 02 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020166006540, 16 bytes long.
 Data: <  &#238;T&#246;           > 10 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020166006A90, 16 bytes long.
 Data: <p &#238;T&#246;           > 70 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000201660064F0, 16 bytes long.
 Data: < &#192;&#236;T&#246;           > 18 C0 EC 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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