Task 38686941

Name test_408-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6092_0
Workunit 31628350
Created 28 Oct 2026, 5:10:28 UTC
Sent 28 Oct 2026, 5:10:36 UTC
Report deadline 2 Nov 2026, 5:10:36 UTC
Received 28 Oct 2026, 5:54:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 42 sec
CPU time 18 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.76 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:33:48 (17312): wrapper (7.9.26016): starting
01:33:49 (17312): 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
01:33:50 (17312): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:33:50 (17312): 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
01:53:41 (17312): C:/Windows/system32/cmd.exe exited; CPU time 1112.656250
01:53:41 (17312): 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: 20715663 bytes.
Dumping objects ->
{3835237} normal block at 0x000002B5209BB3E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002B5209BAF10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002B5209BAF80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000002B520994980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002B520994EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000002B52262B2E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000002B52263EC50, 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) : {3835148} normal block at 0x000002B520991390, 8 bytes long.
 Data: <  &#218; &#181;   > 00 00 DA 20 B5 02 00 00 
{3834547} normal block at 0x000002B52263ED00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002B520991340, 8 bytes long.
 Data: <&#208; &#155; &#181;   > D0 9D 9B 20 B5 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002B520985FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B520987510, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002B520995EB0, 16 bytes long.
 Data: < V  &#181;           > 88 56 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B520995F00, 16 bytes long.
 Data: <`V  &#181;           > 60 56 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B52098FFB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002B520996220, 16 bytes long.
 Data: <8V  &#181;           > 38 56 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B520995C30, 16 bytes long.
 Data: < V  &#181;           > 10 56 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B5209963B0, 16 bytes long.
 Data: <&#232;U  &#181;           > E8 55 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B520995BE0, 16 bytes long.
 Data: <&#192;U  &#181;           > C0 55 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B520994B40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002B520995D70, 16 bytes long.
 Data: < P  &#181;           > 98 50 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B52098FB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002B520996540, 16 bytes long.
 Data: <pP  &#181;           > 70 50 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B5209957D0, 16 bytes long.
 Data: <HP  &#181;           > 48 50 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B520996090, 16 bytes long.
 Data: < P  &#181;           > 20 50 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B520995C80, 16 bytes long.
 Data: <&#248;O  &#181;           > F8 4F 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B520995B90, 16 bytes long.
 Data: <&#208;O  &#181;           > D0 4F 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B520996270, 16 bytes long.
 Data: <&#168;O  &#181;           > A8 4F 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B52098FAD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002B5209960E0, 16 bytes long.
 Data: < O  &#181;           > 80 4F 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B520994F80, 320 bytes long.
 Data: <&#224;`  &#181;   &#208;&#250;  &#181;   > E0 60 99 20 B5 02 00 00 D0 FA 98 20 B5 02 00 00 
{275} normal block at 0x000002B520996630, 16 bytes long.
 Data: <&#160;U  &#181;           > A0 55 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B520995CD0, 16 bytes long.
 Data: <xU  &#181;           > 78 55 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B52098FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002B520995E60, 16 bytes long.
 Data: <PU  &#181;           > 50 55 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B52098FA10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002B520995A50, 16 bytes long.
 Data: < T  &#181;           > 98 54 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B520996590, 16 bytes long.
 Data: <pT  &#181;           > 70 54 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B520995D20, 16 bytes long.
 Data: <HT  &#181;           > 48 54 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B520996720, 16 bytes long.
 Data: < T  &#181;           > 20 54 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B520991200, 16 bytes long.
 Data: <&#248;S  &#181;           > F8 53 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B520990F80, 16 bytes long.
 Data: <&#208;S  &#181;           > D0 53 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B520990B70, 16 bytes long.
 Data: <0H  &#181;           > 30 48 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B520994830, 40 bytes long.
 Data: <p   &#181;   &#224;&#178;b"&#181;   > 70 0B 99 20 B5 02 00 00 E0 B2 62 22 B5 02 00 00 
{261} normal block at 0x000002B520991520, 16 bytes long.
 Data: <&#176;S  &#181;           > B0 53 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B520990EE0, 16 bytes long.
 Data: < S  &#181;           > 88 53 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B52098F9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002B5209911B0, 16 bytes long.
 Data: <`S  &#181;           > 60 53 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B520995360, 992 bytes long.
 Data: <&#176;   &#181;   &#176;&#249;  &#181;   > B0 11 99 20 B5 02 00 00 B0 F9 98 20 B5 02 00 00 
{93} normal block at 0x000002B520990550, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002B5209912F0, 16 bytes long.
 Data: < L  &#181;           > 20 4C 99 20 B5 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002B520994C20, 40 bytes long.
 Data: <&#240;   &#181;   P   &#181;   > F0 12 99 20 B5 02 00 00 50 05 99 20 B5 02 00 00 
{70} normal block at 0x000002B5209908A0, 16 bytes long.
 Data: < &#234;<M&#247;           > 80 EA 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B520990C60, 16 bytes long.
 Data: <@&#233;<M&#247;           > 40 E9 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B520990E90, 16 bytes long.
 Data: <&#248;W9M&#247;           > F8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B520990BC0, 16 bytes long.
 Data: <&#216;W9M&#247;           > D8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B520990990, 16 bytes long.
 Data: <P 9M&#247;           > 50 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B520991250, 16 bytes long.
 Data: <0 9M&#247;           > 30 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B520990E40, 16 bytes long.
 Data: <&#224; 9M&#247;           > E0 02 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B5209917F0, 16 bytes long.
 Data: <  9M&#247;           > 10 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B520991070, 16 bytes long.
 Data: <p 9M&#247;           > 70 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B520991610, 16 bytes long.
 Data: < &#192;7M&#247;           > 18 C0 37 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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