Task 38674428

Name test_568-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND1899_1
Workunit 31612428
Created 26 Oct 2026, 5:15:41 UTC
Sent 26 Oct 2026, 5:15:47 UTC
Report deadline 31 Oct 2026, 5:15:47 UTC
Received 26 Oct 2026, 5:54:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 33 min 35 sec
CPU time 32 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 4.92 GB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:20:38 (10708): wrapper (7.9.26016): starting
00:20:38 (10708): 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
00:20:39 (10708): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:20:39 (10708): 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
00:53:14 (10708): C:/Windows/system32/cmd.exe exited; CPU time 1964.718750
00:53:14 (10708): 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: 25987097 bytes.
Dumping objects ->
{3835250} normal block at 0x000001F6B724E0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001F6B724D850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001F6B724DCB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001F6B55A5220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001F6B55A51B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001F6B7295B30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001F6B72AF030, 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) : {3835161} normal block at 0x000001F6B559DF50, 8 bytes long.
 Data: <  &#156;&#181;&#246;   > 00 00 9C B5 F6 01 00 00 
{3834554} normal block at 0x000001F6B72AEA00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001F6B559E360, 8 bytes long.
 Data: <&#240;T/&#183;&#246;   > F0 54 2F B7 F6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F6B55A1C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F6B5596AD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F6B55A66F0, 16 bytes long.
 Data: <&#184;lZ&#181;&#246;           > B8 6C 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F6B55A5B10, 16 bytes long.
 Data: < lZ&#181;&#246;           > 90 6C 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F6B559FF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F6B55A5CA0, 16 bytes long.
 Data: <hlZ&#181;&#246;           > 68 6C 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F6B55A6420, 16 bytes long.
 Data: <@lZ&#181;&#246;           > 40 6C 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F6B55A6010, 16 bytes long.
 Data: < lZ&#181;&#246;           > 18 6C 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F6B55A6740, 16 bytes long.
 Data: <&#240;kZ&#181;&#246;           > F0 6B 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F6B55A4FF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F6B55A67E0, 16 bytes long.
 Data: <&#200;&#246;X&#181;&#246;           > C8 F6 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F6B55A0170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F6B55A6330, 16 bytes long.
 Data: <&#160;&#246;X&#181;&#246;           > A0 F6 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F6B55A6380, 16 bytes long.
 Data: <x&#246;X&#181;&#246;           > 78 F6 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F6B55A5F20, 16 bytes long.
 Data: <P&#246;X&#181;&#246;           > 50 F6 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F6B55A6290, 16 bytes long.
 Data: <(&#246;X&#181;&#246;           > 28 F6 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F6B55A6650, 16 bytes long.
 Data: < &#246;X&#181;&#246;           > 00 F6 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F6B55A6240, 16 bytes long.
 Data: <&#216;&#245;X&#181;&#246;           > D8 F5 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F6B559FC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F6B55A5C00, 16 bytes long.
 Data: <&#176;&#245;X&#181;&#246;           > B0 F5 58 B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F6B558F5B0, 320 bytes long.
 Data: < \Z&#181;&#246;    &#252;Y&#181;&#246;   > 00 5C 5A B5 F6 01 00 00 90 FC 59 B5 F6 01 00 00 
{276} normal block at 0x000001F6B55A61A0, 16 bytes long.
 Data: <&#208;kZ&#181;&#246;           > D0 6B 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F6B55A68D0, 16 bytes long.
 Data: <&#168;kZ&#181;&#246;           > A8 6B 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F6B559FD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F6B55A5D40, 16 bytes long.
 Data: < kZ&#181;&#246;           > 80 6B 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F6B559F630, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F6B55A62E0, 16 bytes long.
 Data: <&#200;jZ&#181;&#246;           > C8 6A 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F6B55A6600, 16 bytes long.
 Data: <&#160;jZ&#181;&#246;           > A0 6A 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F6B55A60B0, 16 bytes long.
 Data: <xjZ&#181;&#246;           > 78 6A 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F6B55A5FC0, 16 bytes long.
 Data: <PjZ&#181;&#246;           > 50 6A 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F6B55A6150, 16 bytes long.
 Data: <(jZ&#181;&#246;           > 28 6A 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F6B55A5CF0, 16 bytes long.
 Data: < jZ&#181;&#246;           > 00 6A 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F6B55A61F0, 16 bytes long.
 Data: <&#192;MZ&#181;&#246;           > C0 4D 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F6B55A4DC0, 40 bytes long.
 Data: <&#240;aZ&#181;&#246;   0[)&#183;&#246;   > F0 61 5A B5 F6 01 00 00 30 5B 29 B7 F6 01 00 00 
{262} normal block at 0x000001F6B55A5B60, 16 bytes long.
 Data: <&#224;iZ&#181;&#246;           > E0 69 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F6B55A6060, 16 bytes long.
 Data: <&#184;iZ&#181;&#246;           > B8 69 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F6B55A01D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F6B55A6100, 16 bytes long.
 Data: < iZ&#181;&#246;           > 90 69 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F6B55A6990, 992 bytes long.
 Data: < aZ&#181;&#246;   &#208; Z&#181;&#246;   > 00 61 5A B5 F6 01 00 00 D0 01 5A B5 F6 01 00 00 
{94} normal block at 0x000001F6B55A0110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F6B559DC30, 16 bytes long.
 Data: <PTZ&#181;&#246;           > 50 54 5A B5 F6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F6B55A5450, 40 bytes long.
 Data: <0&#220;Y&#181;&#246;     Z&#181;&#246;   > 30 DC 59 B5 F6 01 00 00 10 01 5A B5 F6 01 00 00 
{71} normal block at 0x000001F6B559E310, 16 bytes long.
 Data: < &#234;&#162;&#187;&#247;           > 80 EA A2 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F6B559E4A0, 16 bytes long.
 Data: <@&#233;&#162;&#187;&#247;           > 40 E9 A2 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F6B559E0E0, 16 bytes long.
 Data: <&#248;W&#159;&#187;&#247;           > F8 57 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F6B559D870, 16 bytes long.
 Data: <&#216;W&#159;&#187;&#247;           > D8 57 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F6B559DCD0, 16 bytes long.
 Data: <P &#159;&#187;&#247;           > 50 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F6B559DB40, 16 bytes long.
 Data: <0 &#159;&#187;&#247;           > 30 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F6B559E130, 16 bytes long.
 Data: <&#224; &#159;&#187;&#247;           > E0 02 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F6B559E2C0, 16 bytes long.
 Data: <  &#159;&#187;&#247;           > 10 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F6B559DAA0, 16 bytes long.
 Data: <p &#159;&#187;&#247;           > 70 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F6B559E270, 16 bytes long.
 Data: < &#192; &#187;&#247;           > 18 C0 9D BB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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