Task 38684748

Name test_379-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6691_0
Workunit 31626253
Created 27 Oct 2026, 17:47:55 UTC
Sent 27 Oct 2026, 17:48:03 UTC
Report deadline 1 Nov 2026, 17:48:03 UTC
Received 27 Oct 2026, 18:18:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 22 min 2 sec
CPU time 20 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.88 MB
Peak swap size 13.24 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:51:12 (19620): wrapper (7.9.26016): starting
17:51:12 (19620): 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
17:51:13 (19620): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:13 (19620): 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\62\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\62\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
18:16:08 (19620): C:/Windows/system32/cmd.exe exited; CPU time 1222.140625
18:16:08 (19620): 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: 27755087 bytes.
Dumping objects ->
{3835192} normal block at 0x000001FDDE67C650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001FDDE67D140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001FDDE67C7A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x000001FDDC874960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001FDDC874810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x000001FDDE6C6FD0, 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) : {3835104} normal block at 0x000001FDDC86FD80, 8 bytes long.
 Data: <  &#211;&#220;&#253;   > 00 00 D3 DC FD 01 00 00 
{3833961} normal block at 0x000001FDDC870050, 8 bytes long.
 Data: <0Dr&#222;&#253;   > 30 44 72 DE FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FDDC866870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FDDC867270, 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 0x000001FDDC875C80, 16 bytes long.
 Data: <&#184;e&#135;&#220;&#253;           > B8 65 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FDDC875910, 16 bytes long.
 Data: < e&#135;&#220;&#253;           > 90 65 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FDDC871280, 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 0x000001FDDC875AF0, 16 bytes long.
 Data: <he&#135;&#220;&#253;           > 68 65 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FDDC875820, 16 bytes long.
 Data: <@e&#135;&#220;&#253;           > 40 65 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FDDC875C30, 16 bytes long.
 Data: < e&#135;&#220;&#253;           > 18 65 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FDDC875320, 16 bytes long.
 Data: <&#240;d&#135;&#220;&#253;           > F0 64 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FDDC874B90, 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 0x000001FDDC875B40, 16 bytes long.
 Data: <&#184;&#249;&#133;&#220;&#253;           > B8 F9 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FDDC8715E0, 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 0x000001FDDC875BE0, 16 bytes long.
 Data: < &#249;&#133;&#220;&#253;           > 90 F9 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FDDC8752D0, 16 bytes long.
 Data: <h&#249;&#133;&#220;&#253;           > 68 F9 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FDDC875E10, 16 bytes long.
 Data: <@&#249;&#133;&#220;&#253;           > 40 F9 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FDDC8756E0, 16 bytes long.
 Data: < &#249;&#133;&#220;&#253;           > 18 F9 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FDDC8760E0, 16 bytes long.
 Data: <&#240;&#248;&#133;&#220;&#253;           > F0 F8 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FDDC8755A0, 16 bytes long.
 Data: <&#200;&#248;&#133;&#220;&#253;           > C8 F8 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FDDC870E60, 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 0x000001FDDC875A50, 16 bytes long.
 Data: <&#160;&#248;&#133;&#220;&#253;           > A0 F8 85 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FDDC85F8A0, 320 bytes long.
 Data: <PZ&#135;&#220;&#253;   ` &#135;&#220;&#253;   > 50 5A 87 DC FD 01 00 00 60 0E 87 DC FD 01 00 00 
{276} normal block at 0x000001FDDC876040, 16 bytes long.
 Data: <&#208;d&#135;&#220;&#253;           > D0 64 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FDDC8758C0, 16 bytes long.
 Data: <&#168;d&#135;&#220;&#253;           > A8 64 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FDDC871040, 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 0x000001FDDC8753C0, 16 bytes long.
 Data: < d&#135;&#220;&#253;           > 80 64 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FDDC870920, 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 0x000001FDDC875A00, 16 bytes long.
 Data: <&#200;c&#135;&#220;&#253;           > C8 63 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FDDC875500, 16 bytes long.
 Data: <&#160;c&#135;&#220;&#253;           > A0 63 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FDDC875550, 16 bytes long.
 Data: <xc&#135;&#220;&#253;           > 78 63 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FDDC875DC0, 16 bytes long.
 Data: <Pc&#135;&#220;&#253;           > 50 63 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FDDC876130, 16 bytes long.
 Data: <(c&#135;&#220;&#253;           > 28 63 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FDDC876220, 16 bytes long.
 Data: < c&#135;&#220;&#253;           > 00 63 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FDDC875370, 16 bytes long.
 Data: <&#224;L&#135;&#220;&#253;           > E0 4C 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FDDC874CE0, 40 bytes long.
 Data: <pS&#135;&#220;&#253;   &#208;ol&#222;&#253;   > 70 53 87 DC FD 01 00 00 D0 6F 6C DE FD 01 00 00 
{262} normal block at 0x000001FDDC875870, 16 bytes long.
 Data: <&#224;b&#135;&#220;&#253;           > E0 62 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FDDC875780, 16 bytes long.
 Data: <&#184;b&#135;&#220;&#253;           > B8 62 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FDDC8711C0, 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 0x000001FDDC875730, 16 bytes long.
 Data: < b&#135;&#220;&#253;           > 90 62 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FDDC876290, 992 bytes long.
 Data: <0W&#135;&#220;&#253;   &#192; &#135;&#220;&#253;   > 30 57 87 DC FD 01 00 00 C0 11 87 DC FD 01 00 00 
{94} normal block at 0x000001FDDC8716A0, 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 0x000001FDDC8700F0, 16 bytes long.
 Data: < H&#135;&#220;&#253;           > 80 48 87 DC FD 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001FDDC874880, 40 bytes long.
 Data: <&#240; &#135;&#220;&#253;   &#160; &#135;&#220;&#253;   > F0 00 87 DC FD 01 00 00 A0 16 87 DC FD 01 00 00 
{71} normal block at 0x000001FDDC870410, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FDDC86F830, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FDDC86FBF0, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FDDC870320, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FDDC8705F0, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FDDC86FF60, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FDDC86F790, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FDDC86FFB0, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FDDC86FC90, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FDDC8705A0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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