Task 38659398

Name test_1429-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8564_0
Workunit 31602948
Created 24 Oct 2026, 13:25:09 UTC
Sent 24 Oct 2026, 15:20:04 UTC
Report deadline 29 Oct 2026, 15:20:04 UTC
Received 24 Oct 2026, 16:13:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 37 min 34 sec
CPU time 36 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.88 MB
Peak swap size 3.54 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:36:18 (14184): wrapper (7.9.26016): starting
23:36:18 (14184): 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
23:36:20 (14184): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:36:20 (14184): 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 'D:\ProgramData\BOINC\slots\0\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 'D:\ProgramData\BOINC\slots\0\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
00:12:57 (14184): C:/Windows/system32/cmd.exe exited; CPU time 2190.218750
00:12:57 (14184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 28403679 bytes.
Dumping objects ->
{3835056} normal block at 0x00000178033E24B0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x00000178033E29F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x00000178033E2440, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x00000178033E2C20, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x000001780183B2F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x000001780345B7C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x0000017801837EF0, 200 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) : {3834967} normal block at 0x0000017801836860, 8 bytes long.
 Data: <  $ x   > 00 00 24 03 78 01 00 00 
{3834466} normal block at 0x0000017801838AA0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000178018365E0, 8 bytes long.
 Data: <&#208; > x   > D0 10 3E 03 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000178018421D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017801825B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000017801843760, 16 bytes long.
 Data: <&#200;B&#132; x           > C8 42 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017801843670, 16 bytes long.
 Data: <&#160;B&#132; x           > A0 42 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001780183D7B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000017801843210, 16 bytes long.
 Data: <xB&#132; x           > 78 42 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017801843E90, 16 bytes long.
 Data: <PB&#132; x           > 50 42 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017801843B20, 16 bytes long.
 Data: <(B&#132; x           > 28 42 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017801843620, 16 bytes long.
 Data: < B&#132; x           > 00 42 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001780183B440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000017801843170, 16 bytes long.
 Data: < Z&#130; x           > 98 5A 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001780183D330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000178018438F0, 16 bytes long.
 Data: <pZ&#130; x           > 70 5A 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000178018437B0, 16 bytes long.
 Data: <HZ&#130; x           > 48 5A 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017801843990, 16 bytes long.
 Data: < Z&#130; x           > 20 5A 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017801843BC0, 16 bytes long.
 Data: <&#248;Y&#130; x           > F8 59 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017801843530, 16 bytes long.
 Data: <&#208;Y&#130; x           > D0 59 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000178018439E0, 16 bytes long.
 Data: <&#168;Y&#130; x           > A8 59 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001780183DC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000017801843940, 16 bytes long.
 Data: < Y&#130; x           > 80 59 82 01 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017801825980, 320 bytes long.
 Data: <@9&#132; x    &#220;&#131; x   > 40 39 84 01 78 01 00 00 90 DC 83 01 78 01 00 00 
{267} normal block at 0x0000017801843490, 16 bytes long.
 Data: <&#224;A&#132; x           > E0 41 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000178018430D0, 16 bytes long.
 Data: <&#184;A&#132; x           > B8 41 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001780183DD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000178018434E0, 16 bytes long.
 Data: < A&#132; x           > 90 41 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001780183D150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000178018432B0, 16 bytes long.
 Data: <&#216;@&#132; x           > D8 40 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017801843B70, 16 bytes long.
 Data: <&#176;@&#132; x           > B0 40 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000178018435D0, 16 bytes long.
 Data: < @&#132; x           > 88 40 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017801843DA0, 16 bytes long.
 Data: <`@&#132; x           > 60 40 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017801843120, 16 bytes long.
 Data: <8@&#132; x           > 38 40 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017801843AD0, 16 bytes long.
 Data: < @&#132; x           > 10 40 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000178018438A0, 16 bytes long.
 Data: <p&#175;&#131; x           > 70 AF 83 01 78 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001780183AF70, 40 bytes long.
 Data: <&#160;8&#132; x   &#192;&#183;E x   > A0 38 84 01 78 01 00 00 C0 B7 45 03 78 01 00 00 
{253} normal block at 0x0000017801843D50, 16 bytes long.
 Data: <&#240;?&#132; x           > F0 3F 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017801843710, 16 bytes long.
 Data: <&#200;?&#132; x           > C8 3F 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001780183DF30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000178018436C0, 16 bytes long.
 Data: <&#160;?&#132; x           > A0 3F 84 01 78 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000017801843FA0, 992 bytes long.
 Data: <&#192;6&#132; x   0&#223;&#131; x   > C0 36 84 01 78 01 00 00 30 DF 83 01 78 01 00 00 
{85} normal block at 0x000001780183DE10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000017801836810, 16 bytes long.
 Data: < &#175;&#131; x           > 00 AF 83 01 78 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001780183AF00, 40 bytes long.
 Data: < h&#131; x    &#222;&#131; x   > 10 68 83 01 78 01 00 00 10 DE 83 01 78 01 00 00 
{62} normal block at 0x0000017801836B30, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017801836950, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000178018369F0, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000178018371C0, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017801836E00, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017801836AE0, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017801836900, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017801836EF0, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000178018369A0, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000178018362C0, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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