Task 38681971

Name test_969-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2052_0
Workunit 31623611
Created 27 Oct 2026, 6:01:51 UTC
Sent 27 Oct 2026, 6:01:57 UTC
Report deadline 1 Nov 2026, 6:01:57 UTC
Received 27 Oct 2026, 9:32:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 52 min 24 sec
CPU time 42 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 635.72 MB
Peak swap size 9.73 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:27:51 (9284): wrapper (7.9.26016): starting
10:27:51 (9284): 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
10:27:53 (9284): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:27:53 (9284): 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\21\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\21\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
11:18:00 (9284): C:/Windows/system32/cmd.exe exited; CPU time 2539.593750
11:18:00 (9284): 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: 37218225 bytes.
Dumping objects ->
{3835241} normal block at 0x000001969493A590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x000001969493A3D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001969493A1A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x000001969493B010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000019692B7AF80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x00000196948DC740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000196949F64A0, 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) : {3835151} normal block at 0x0000019692B76140, 8 bytes long.
 Data: <  &#172;&#146;&#150;   > 00 00 AC 92 96 01 00 00 
{3834544} normal block at 0x00000196949F6EF0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000019692B765A0, 8 bytes long.
 Data: <@&#235;&#131;&#148;&#150;   > 40 EB 83 94 96 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000019692B81990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019692B6B9F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000019692B82C50, 16 bytes long.
 Data: <HP&#184;&#146;&#150;           > 48 50 B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019692B831F0, 16 bytes long.
 Data: < P&#184;&#146;&#150;           > 20 50 B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019692B7CB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000019692B82A70, 16 bytes long.
 Data: <&#248;O&#184;&#146;&#150;           > F8 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019692B831A0, 16 bytes long.
 Data: <&#208;O&#184;&#146;&#150;           > D0 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019692B82BB0, 16 bytes long.
 Data: <&#168;O&#184;&#146;&#150;           > A8 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019692B82ED0, 16 bytes long.
 Data: <&#128;O&#184;&#146;&#150;           > 80 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019692B7B450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000019692B82A20, 16 bytes long.
 Data: <&#200;Z&#182;&#146;&#150;           > C8 5A B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019692B7C950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000019692B82F70, 16 bytes long.
 Data: <&#160;Z&#182;&#146;&#150;           > A0 5A B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019692B83150, 16 bytes long.
 Data: <xZ&#182;&#146;&#150;           > 78 5A B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019692B82E30, 16 bytes long.
 Data: <PZ&#182;&#146;&#150;           > 50 5A B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019692B829D0, 16 bytes long.
 Data: <(Z&#182;&#146;&#150;           > 28 5A B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019692B82E80, 16 bytes long.
 Data: < Z&#182;&#146;&#150;           > 00 5A B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019692B83100, 16 bytes long.
 Data: <&#216;Y&#182;&#146;&#150;           > D8 59 B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019692B7CBF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000019692B83420, 16 bytes long.
 Data: <&#176;Y&#182;&#146;&#150;           > B0 59 B6 92 96 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019692B659B0, 320 bytes long.
 Data: < 4&#184;&#146;&#150;   &#240;&#203;&#183;&#146;&#150;   > 20 34 B8 92 96 01 00 00 F0 CB B7 92 96 01 00 00 
{266} normal block at 0x0000019692B827A0, 16 bytes long.
 Data: <`O&#184;&#146;&#150;           > 60 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019692B82B60, 16 bytes long.
 Data: <8O&#184;&#146;&#150;           > 38 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019692B7C3B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000019692B82B10, 16 bytes long.
 Data: < O&#184;&#146;&#150;           > 10 4F B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019692B7C710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000019692B833D0, 16 bytes long.
 Data: <XN&#184;&#146;&#150;           > 58 4E B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019692B827F0, 16 bytes long.
 Data: <0N&#184;&#146;&#150;           > 30 4E B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019692B82980, 16 bytes long.
 Data: < N&#184;&#146;&#150;           > 08 4E B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019692B830B0, 16 bytes long.
 Data: <&#224;M&#184;&#146;&#150;           > E0 4D B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019692B836F0, 16 bytes long.
 Data: <&#184;M&#184;&#146;&#150;           > B8 4D B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019692B82890, 16 bytes long.
 Data: <&#144;M&#184;&#146;&#150;           > 90 4D B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019692B82930, 16 bytes long.
 Data: <`&#176;&#183;&#146;&#150;           > 60 B0 B7 92 96 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019692B7B060, 40 bytes long.
 Data: <0)&#184;&#146;&#150;   @&#199;&#141;&#148;&#150;   > 30 29 B8 92 96 01 00 00 40 C7 8D 94 96 01 00 00 
{252} normal block at 0x0000019692B82C00, 16 bytes long.
 Data: <pM&#184;&#146;&#150;           > 70 4D B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000019692B82D40, 16 bytes long.
 Data: <HM&#184;&#146;&#150;           > 48 4D B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000019692B7CAD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000019692B82840, 16 bytes long.
 Data: < M&#184;&#146;&#150;           > 20 4D B8 92 96 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000019692B84D20, 992 bytes long.
 Data: <@(&#184;&#146;&#150;   &#208;&#202;&#183;&#146;&#150;   > 40 28 B8 92 96 01 00 00 D0 CA B7 92 96 01 00 00 
{84} normal block at 0x0000019692B7CB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000019692B76500, 16 bytes long.
 Data: <0&#181;&#183;&#146;&#150;           > 30 B5 B7 92 96 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000019692B7B530, 40 bytes long.
 Data: < e&#183;&#146;&#150;   &#144;&#203;&#183;&#146;&#150;   > 00 65 B7 92 96 01 00 00 90 CB B7 92 96 01 00 00 
{61} normal block at 0x0000019692B76370, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019692B76D70, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019692B76870, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019692B76320, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019692B762D0, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019692B76F50, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000019692B76550, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000019692B76B90, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000019692B76F00, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000019692B766E0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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