Task 38676726

Name test_986-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0939_0
Workunit 31618626
Created 26 Oct 2026, 12:08:52 UTC
Sent 26 Oct 2026, 12:08:56 UTC
Report deadline 31 Oct 2026, 12:08:56 UTC
Received 26 Oct 2026, 12:51:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 23 min 32 sec
CPU time 20 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.61 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:28:40 (22596): wrapper (7.9.26016): starting
13:28:40 (22596): 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
13:28:41 (22596): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:28:41 (22596): 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\2\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\2\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
13:51:22 (22596): C:/Windows/system32/cmd.exe exited; CPU time 1246.765625
13:51:22 (22596): 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: 20533165 bytes.
Dumping objects ->
{3835250} normal block at 0x00000226E8BD1330, 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 0x00000226E8BD1640, 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 0x00000226E8BD16B0, 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 0x00000226E8BD1100, 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 0x00000226E8BD0990, 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 0x00000226E8C7D4D0, 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) : {3835162} normal block at 0x00000226E7147600, 8 bytes long.
 Data: <   &#231;&   > 00 00 12 E7 26 02 00 00 
{3833957} normal block at 0x00000226E7147100, 8 bytes long.
 Data: < &#164; &#231;&   > 10 A4 19 E7 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000226E71535F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000226E7154530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000226E7155530, 16 bytes long.
 Data: < Y &#231;&           > 18 59 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000226E7155490, 16 bytes long.
 Data: <&#240;X &#231;&           > F0 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226E714C0D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000226E7155440, 16 bytes long.
 Data: <&#200;X &#231;&           > C8 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000226E71553A0, 16 bytes long.
 Data: <&#160;X &#231;&           > A0 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000226E7155300, 16 bytes long.
 Data: <xX &#231;&           > 78 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000226E71546D0, 16 bytes long.
 Data: <PX &#231;&           > 50 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000226E714D720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000226E7154AE0, 16 bytes long.
 Data: <&#200;D &#231;&           > C8 44 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000226E714C4F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000226E7155210, 16 bytes long.
 Data: <&#160;D &#231;&           > A0 44 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000226E71554E0, 16 bytes long.
 Data: <xD &#231;&           > 78 44 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000226E7155120, 16 bytes long.
 Data: <PD &#231;&           > 50 44 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000226E7154B80, 16 bytes long.
 Data: <(D &#231;&           > 28 44 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000226E7154CC0, 16 bytes long.
 Data: < D &#231;&           > 00 44 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000226E71550D0, 16 bytes long.
 Data: <&#216;C &#231;&           > D8 43 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000226E714C190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000226E71549F0, 16 bytes long.
 Data: <&#176;C &#231;&           > B0 43 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000226E71543B0, 320 bytes long.
 Data: <&#240;I &#231;&    &#193; &#231;&   > F0 49 15 E7 26 02 00 00 90 C1 14 E7 26 02 00 00 
{274} normal block at 0x00000226E7154D60, 16 bytes long.
 Data: <0X &#231;&           > 30 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000226E7155030, 16 bytes long.
 Data: < X &#231;&           > 08 58 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000226E714C2B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000226E7154C20, 16 bytes long.
 Data: <&#224;W &#231;&           > E0 57 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000226E714C3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000226E7154BD0, 16 bytes long.
 Data: <(W &#231;&           > 28 57 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000226E7154EF0, 16 bytes long.
 Data: < W &#231;&           > 00 57 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226E71551C0, 16 bytes long.
 Data: <&#216;V &#231;&           > D8 56 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000226E7154F40, 16 bytes long.
 Data: <&#176;V &#231;&           > B0 56 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000226E7154DB0, 16 bytes long.
 Data: < V &#231;&           > 88 56 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000226E7154F90, 16 bytes long.
 Data: <`V &#231;&           > 60 56 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000226E7154EA0, 16 bytes long.
 Data: <&#208;&#213; &#231;&           > D0 D5 14 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000226E714D5D0, 40 bytes long.
 Data: <&#160;N &#231;&   &#208;&#212;&#199;&#232;&   > A0 4E 15 E7 26 02 00 00 D0 D4 C7 E8 26 02 00 00 
{260} normal block at 0x00000226E7154A90, 16 bytes long.
 Data: <@V &#231;&           > 40 56 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000226E7154950, 16 bytes long.
 Data: < V &#231;&           > 18 56 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000226E714BBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000226E71547C0, 16 bytes long.
 Data: <&#240;U &#231;&           > F0 55 15 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000226E71555F0, 992 bytes long.
 Data: <&#192;G &#231;&   &#240;&#187; &#231;&   > C0 47 15 E7 26 02 00 00 F0 BB 14 E7 26 02 00 00 
{92} normal block at 0x00000226E714C130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000226E7146CA0, 16 bytes long.
 Data: <&#176;&#214; &#231;&           > B0 D6 14 E7 26 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000226E714D6B0, 40 bytes long.
 Data: <&#160;l &#231;&   0&#193; &#231;&   > A0 6C 14 E7 26 02 00 00 30 C1 14 E7 26 02 00 00 
{69} normal block at 0x00000226E7146E30, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000226E7146D40, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000226E7146C00, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000226E71469D0, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000226E7147330, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000226E7147650, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000226E7146BB0, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000226E7146890, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000226E7147560, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000226E7146AC0, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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