Task 38652057

Name test_264-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND0312_0
Workunit 31596311
Created 24 Oct 2026, 3:08:28 UTC
Sent 24 Oct 2026, 3:16:19 UTC
Report deadline 29 Oct 2026, 3:16:19 UTC
Received 25 Oct 2026, 2:20:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 58 min 32 sec
CPU time 52 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.59 MB
Peak swap size 18.78 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:23:00 (9628): wrapper (7.9.26016): starting
03:23:00 (9628): 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
03:23:02 (9628): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:23:02 (9628): 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\46\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\46\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
04:19:39 (9628): C:/Windows/system32/cmd.exe exited; CPU time 3131.125000
04:19:39 (9628): 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: 63678493 bytes.
Dumping objects ->
{3835247} normal block at 0x000001E6D22C6B00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001E6D22C7190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001E6D22C6B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001E6D22C70B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001E6D22C6940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001E6D4114CA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001E6D4172320, 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) : {3835157} normal block at 0x000001E6D2297460, 8 bytes long.
 Data: <  &#203;&#211;&#230;   > 00 00 CB D3 E6 01 00 00 
{3834550} normal block at 0x000001E6D41716F0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001E6D22970F0, 8 bytes long.
 Data: <P+ &#212;&#230;   > 50 2B 1A D4 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001E6D22A0C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6D228B670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001E6D22A25C0, 16 bytes long.
 Data: <&#248;C*&#210;&#230;           > F8 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E6D22A21B0, 16 bytes long.
 Data: <&#208;C*&#210;&#230;           > D0 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6D229DCB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001E6D22A1FD0, 16 bytes long.
 Data: <&#168;C*&#210;&#230;           > A8 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6D22A2160, 16 bytes long.
 Data: <&#128;C*&#210;&#230;           > 80 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6D22A24D0, 16 bytes long.
 Data: <XC*&#210;&#230;           > 58 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6D22A2B60, 16 bytes long.
 Data: <0C*&#210;&#230;           > 30 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6D229BB60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001E6D22A2430, 16 bytes long.
 Data: <h\(&#210;&#230;           > 68 5C 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6D229D8F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001E6D22A2110, 16 bytes long.
 Data: <@\(&#210;&#230;           > 40 5C 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6D22A2700, 16 bytes long.
 Data: < \(&#210;&#230;           > 18 5C 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6D22A26B0, 16 bytes long.
 Data: <&#240;[(&#210;&#230;           > F0 5B 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6D22A1E90, 16 bytes long.
 Data: <&#200;[(&#210;&#230;           > C8 5B 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6D22A2070, 16 bytes long.
 Data: <&#160;[(&#210;&#230;           > A0 5B 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E6D22A2930, 16 bytes long.
 Data: <x[(&#210;&#230;           > 78 5B 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6D229D3B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001E6D22A1DF0, 16 bytes long.
 Data: <P[(&#210;&#230;           > 50 5B 28 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6D2285B50, 320 bytes long.
 Data: <&#240; *&#210;&#230;   &#176;&#211;)&#210;&#230;   > F0 1D 2A D2 E6 01 00 00 B0 D3 29 D2 E6 01 00 00 
{269} normal block at 0x000001E6D22A28E0, 16 bytes long.
 Data: < C*&#210;&#230;           > 10 43 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6D22A2B10, 16 bytes long.
 Data: <&#232;B*&#210;&#230;           > E8 42 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6D229D230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001E6D22A20C0, 16 bytes long.
 Data: <&#192;B*&#210;&#230;           > C0 42 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6D229CE70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001E6D22A2890, 16 bytes long.
 Data: < B*&#210;&#230;           > 08 42 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6D22A2840, 16 bytes long.
 Data: <&#224;A*&#210;&#230;           > E0 41 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6D22A2200, 16 bytes long.
 Data: <&#184;A*&#210;&#230;           > B8 41 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6D22A2020, 16 bytes long.
 Data: <&#144;A*&#210;&#230;           > 90 41 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E6D22A1D50, 16 bytes long.
 Data: <hA*&#210;&#230;           > 68 41 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E6D22A27F0, 16 bytes long.
 Data: <@A*&#210;&#230;           > 40 41 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E6D22A2390, 16 bytes long.
 Data: <&#160;&#192;)&#210;&#230;           > A0 C0 29 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E6D229C0A0, 40 bytes long.
 Data: <&#144;#*&#210;&#230;   &#160;L &#212;&#230;   > 90 23 2A D2 E6 01 00 00 A0 4C 11 D4 E6 01 00 00 
{255} normal block at 0x000001E6D22A27A0, 16 bytes long.
 Data: < A*&#210;&#230;           > 20 41 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E6D22A2520, 16 bytes long.
 Data: <&#248;@*&#210;&#230;           > F8 40 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E6D229D950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001E6D22A2250, 16 bytes long.
 Data: <&#208;@*&#210;&#230;           > D0 40 2A D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001E6D22A40D0, 992 bytes long.
 Data: <P"*&#210;&#230;   P&#217;)&#210;&#230;   > 50 22 2A D2 E6 01 00 00 50 D9 29 D2 E6 01 00 00 
{87} normal block at 0x000001E6D229DD10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001E6D2297050, 16 bytes long.
 Data: <&#224;&#190;)&#210;&#230;           > E0 BE 29 D2 E6 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001E6D229BEE0, 40 bytes long.
 Data: <Pp)&#210;&#230;    &#221;)&#210;&#230;   > 50 70 29 D2 E6 01 00 00 10 DD 29 D2 E6 01 00 00 
{64} normal block at 0x000001E6D2297410, 16 bytes long.
 Data: <&#128;&#234;0&#208;&#247;           > 80 EA 30 D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6D2297550, 16 bytes long.
 Data: <@&#233;0&#208;&#247;           > 40 E9 30 D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6D22972D0, 16 bytes long.
 Data: <&#248;W-&#208;&#247;           > F8 57 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E6D2296EC0, 16 bytes long.
 Data: <&#216;W-&#208;&#247;           > D8 57 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E6D2297C30, 16 bytes long.
 Data: <P -&#208;&#247;           > 50 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E6D2297780, 16 bytes long.
 Data: <0 -&#208;&#247;           > 30 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E6D2297280, 16 bytes long.
 Data: <&#224; -&#208;&#247;           > E0 02 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E6D2297CD0, 16 bytes long.
 Data: <  -&#208;&#247;           > 10 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E6D2297AA0, 16 bytes long.
 Data: <p -&#208;&#247;           > 70 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E6D2297B90, 16 bytes long.
 Data: < &#192;+&#208;&#247;           > 18 C0 2B D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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