Task 38688996

Name test_127-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3164_0
Workunit 31630282
Created 28 Oct 2026, 17:30:51 UTC
Sent 28 Oct 2026, 17:30:59 UTC
Report deadline 2 Nov 2026, 17:30:59 UTC
Received 28 Oct 2026, 18:19:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627872
Run time 27 min 17 sec
CPU time 24 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.65 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:52:28 (33352): wrapper (7.9.26016): starting
18:52:28 (33352): 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
18:52:29 (33352): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:52:29 (33352): 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\8\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\8\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
19:18:44 (33352): C:/Windows/system32/cmd.exe exited; CPU time 1478.687500
19:18:44 (33352): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 35738901 bytes.
Dumping objects ->
{3835263} normal block at 0x000001D35A8DAD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000001D35A8DB770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000001D35A8DAE40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x000001D358C43220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001D358C431B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x000001D35A87B500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000001D358C69C30, 180 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) : {3835174} normal block at 0x000001D358C3E7F0, 8 bytes long.
 Data: <   Y&#211;   > 00 00 0E 59 D3 01 00 00 
{3834566} normal block at 0x000001D358C691E0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001D358C3E3E0, 8 bytes long.
 Data: <0&#159;&#141;Z&#211;   > 30 9F 8D 5A D3 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D358C365B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D358C37520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001D358C437B0, 16 bytes long.
 Data: < J&#196;X&#211;           > 88 4A C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D358C436C0, 16 bytes long.
 Data: <`J&#196;X&#211;           > 60 4A C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D358C3EEB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001D358C43AD0, 16 bytes long.
 Data: <8J&#196;X&#211;           > 38 4A C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D358C43EE0, 16 bytes long.
 Data: < J&#196;X&#211;           > 10 4A C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D358C442F0, 16 bytes long.
 Data: <&#232;I&#196;X&#211;           > E8 49 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D358C439E0, 16 bytes long.
 Data: <&#192;I&#196;X&#211;           > C0 49 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D358C42F10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001D358C43990, 16 bytes long.
 Data: < &#164;&#195;X&#211;           > 18 A4 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D358C3EDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001D358C438A0, 16 bytes long.
 Data: <&#240;&#163;&#195;X&#211;           > F0 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D358C442A0, 16 bytes long.
 Data: <&#200;&#163;&#195;X&#211;           > C8 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D358C44250, 16 bytes long.
 Data: <&#160;&#163;&#195;X&#211;           > A0 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D358C43B70, 16 bytes long.
 Data: <x&#163;&#195;X&#211;           > 78 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D358C43530, 16 bytes long.
 Data: <P&#163;&#195;X&#211;           > 50 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D358C43710, 16 bytes long.
 Data: <(&#163;&#195;X&#211;           > 28 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D358C3F570, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001D358C43670, 16 bytes long.
 Data: < &#163;&#195;X&#211;           > 00 A3 C3 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D358C3A300, 320 bytes long.
 Data: <p6&#196;X&#211;   p&#245;&#195;X&#211;   > 70 36 C4 58 D3 01 00 00 70 F5 C3 58 D3 01 00 00 
{277} normal block at 0x000001D358C43760, 16 bytes long.
 Data: <&#160;I&#196;X&#211;           > A0 49 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D358C43F80, 16 bytes long.
 Data: <xI&#196;X&#211;           > 78 49 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D358C3F6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001D358C438F0, 16 bytes long.
 Data: <PI&#196;X&#211;           > 50 49 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D358C3F8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001D358C434E0, 16 bytes long.
 Data: < H&#196;X&#211;           > 98 48 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D358C43E90, 16 bytes long.
 Data: <pH&#196;X&#211;           > 70 48 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D358C435D0, 16 bytes long.
 Data: <HH&#196;X&#211;           > 48 48 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D358C43580, 16 bytes long.
 Data: < H&#196;X&#211;           > 20 48 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D358C433F0, 16 bytes long.
 Data: <&#248;G&#196;X&#211;           > F8 47 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D358C44200, 16 bytes long.
 Data: <&#208;G&#196;X&#211;           > D0 47 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D358C44160, 16 bytes long.
 Data: < ,&#196;X&#211;           > 00 2C C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D358C42C00, 40 bytes long.
 Data: <`A&#196;X&#211;    &#181;&#135;Z&#211;   > 60 41 C4 58 D3 01 00 00 00 B5 87 5A D3 01 00 00 
{263} normal block at 0x000001D358C440C0, 16 bytes long.
 Data: <&#176;G&#196;X&#211;           > B0 47 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D358C44110, 16 bytes long.
 Data: < G&#196;X&#211;           > 88 47 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D358C3EC70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001D358C441B0, 16 bytes long.
 Data: <`G&#196;X&#211;           > 60 47 C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D358C44760, 992 bytes long.
 Data: <&#176;A&#196;X&#211;   p&#236;&#195;X&#211;   > B0 41 C4 58 D3 01 00 00 70 EC C3 58 D3 01 00 00 
{95} normal block at 0x000001D358C3EE50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001D358C3E0C0, 16 bytes long.
 Data: <&#192;-&#196;X&#211;           > C0 2D C4 58 D3 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D358C42DC0, 40 bytes long.
 Data: <&#192;&#224;&#195;X&#211;   P&#238;&#195;X&#211;   > C0 E0 C3 58 D3 01 00 00 50 EE C3 58 D3 01 00 00 
{72} normal block at 0x000001D358C3E700, 16 bytes long.
 Data: < &#234;&#200;&#210;&#247;           > 80 EA C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D358C3E020, 16 bytes long.
 Data: <@&#233;&#200;&#210;&#247;           > 40 E9 C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D358C3DFD0, 16 bytes long.
 Data: <&#248;W&#197;&#210;&#247;           > F8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D358C3E520, 16 bytes long.
 Data: <&#216;W&#197;&#210;&#247;           > D8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D358C3E160, 16 bytes long.
 Data: <P &#197;&#210;&#247;           > 50 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D358C3E610, 16 bytes long.
 Data: <0 &#197;&#210;&#247;           > 30 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D358C3E070, 16 bytes long.
 Data: <&#224; &#197;&#210;&#247;           > E0 02 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D358C3E340, 16 bytes long.
 Data: <  &#197;&#210;&#247;           > 10 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D358C3E930, 16 bytes long.
 Data: <p &#197;&#210;&#247;           > 70 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D358C3DCB0, 16 bytes long.
 Data: < &#192;&#195;&#210;&#247;           > 18 C0 C3 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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