Task 38661763

Name test_1390-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2632_0
Workunit 31605151
Created 24 Oct 2026, 16:15:54 UTC
Sent 24 Oct 2026, 16:22:00 UTC
Report deadline 29 Oct 2026, 16:22:00 UTC
Received 24 Oct 2026, 21:08:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 39 sec
CPU time 32 min 14 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 704.83 MB
Peak swap size 3.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:52:42 (11496): wrapper (7.9.26016): starting
00:52:42 (11496): 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
00:52:44 (11496): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:52:44 (11496): 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
01:25:26 (11496): C:/Windows/system32/cmd.exe exited; CPU time 1934.890625
01:25:26 (11496): 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: 25508287 bytes.
Dumping objects ->
{3835056} normal block at 0x00000284FB549640, 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 0x00000284FB549090, 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 0x00000284FB5495D0, 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 0x00000284FB548D10, 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 0x00000284F9A6BF10, 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 0x00000284FB4EC380, 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 0x00000284F9A6A330, 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 0x00000284F9A67FF0, 8 bytes long.
 Data: <  &#158;&#249;&#132;   > 00 00 9E F9 84 02 00 00 
{3834466} normal block at 0x00000284F9A69120, 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 0x00000284F9A673C0, 8 bytes long.
 Data: < &#227;&#180;&#249;&#132;   > 20 E3 B4 F9 84 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000284F9A731E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000284F9A55B00, 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 0x00000284F9A74A90, 16 bytes long.
 Data: <&#216;R&#167;&#249;&#132;           > D8 52 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000284F9A749F0, 16 bytes long.
 Data: <&#176;R&#167;&#249;&#132;           > B0 52 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000284F9A6EA00, 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 0x00000284F9A74D10, 16 bytes long.
 Data: < R&#167;&#249;&#132;           > 88 52 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000284F9A747C0, 16 bytes long.
 Data: <`R&#167;&#249;&#132;           > 60 52 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000284F9A74270, 16 bytes long.
 Data: <8R&#167;&#249;&#132;           > 38 52 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000284F9A74400, 16 bytes long.
 Data: < R&#167;&#249;&#132;           > 10 52 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000284F9A6C450, 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 0x00000284F9A74360, 16 bytes long.
 Data: < Z&#165;&#249;&#132;           > 98 5A A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000284F9A6E700, 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 0x00000284F9A74770, 16 bytes long.
 Data: <pZ&#165;&#249;&#132;           > 70 5A A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000284F9A74900, 16 bytes long.
 Data: <HZ&#165;&#249;&#132;           > 48 5A A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000284F9A744A0, 16 bytes long.
 Data: < Z&#165;&#249;&#132;           > 20 5A A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000284F9A74220, 16 bytes long.
 Data: <&#248;Y&#165;&#249;&#132;           > F8 59 A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000284F9A74720, 16 bytes long.
 Data: <&#208;Y&#165;&#249;&#132;           > D0 59 A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000284F9A74130, 16 bytes long.
 Data: <&#168;Y&#165;&#249;&#132;           > A8 59 A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000284F9A6E640, 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 0x00000284F9A746D0, 16 bytes long.
 Data: < Y&#165;&#249;&#132;           > 80 59 A5 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000284F9A55980, 320 bytes long.
 Data: <&#208;F&#167;&#249;&#132;   @&#230;&#166;&#249;&#132;   > D0 46 A7 F9 84 02 00 00 40 E6 A6 F9 84 02 00 00 
{267} normal block at 0x00000284F9A73FF0, 16 bytes long.
 Data: <&#240;Q&#167;&#249;&#132;           > F0 51 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000284F9A74630, 16 bytes long.
 Data: <&#200;Q&#167;&#249;&#132;           > C8 51 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000284F9A6E400, 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 0x00000284F9A74AE0, 16 bytes long.
 Data: <&#160;Q&#167;&#249;&#132;           > A0 51 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000284F9A6EB20, 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 0x00000284F9A74B80, 16 bytes long.
 Data: <&#232;P&#167;&#249;&#132;           > E8 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000284F9A74310, 16 bytes long.
 Data: <&#192;P&#167;&#249;&#132;           > C0 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000284F9A74CC0, 16 bytes long.
 Data: < P&#167;&#249;&#132;           > 98 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000284F9A74450, 16 bytes long.
 Data: <pP&#167;&#249;&#132;           > 70 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000284F9A741D0, 16 bytes long.
 Data: <HP&#167;&#249;&#132;           > 48 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000284F9A748B0, 16 bytes long.
 Data: < P&#167;&#249;&#132;           > 20 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000284F9A744F0, 16 bytes long.
 Data: < &#194;&#166;&#249;&#132;           > 20 C2 A6 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000284F9A6C220, 40 bytes long.
 Data: <&#240;D&#167;&#249;&#132;    &#195;N&#251;&#132;   > F0 44 A7 F9 84 02 00 00 80 C3 4E FB 84 02 00 00 
{253} normal block at 0x00000284F9A749A0, 16 bytes long.
 Data: < P&#167;&#249;&#132;           > 00 50 A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000284F9A74860, 16 bytes long.
 Data: <&#216;O&#167;&#249;&#132;           > D8 4F A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000284F9A6E2E0, 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 0x00000284F9A74090, 16 bytes long.
 Data: <&#176;O&#167;&#249;&#132;           > B0 4F A7 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000284F9A74FB0, 992 bytes long.
 Data: < @&#167;&#249;&#132;   &#224;&#226;&#166;&#249;&#132;   > 90 40 A7 F9 84 02 00 00 E0 E2 A6 F9 84 02 00 00 
{85} normal block at 0x00000284F9A6EE20, 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 0x00000284F9A67A00, 16 bytes long.
 Data: <&#240;&#191;&#166;&#249;&#132;           > F0 BF A6 F9 84 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000284F9A6BFF0, 40 bytes long.
 Data: < z&#166;&#249;&#132;    &#238;&#166;&#249;&#132;   > 00 7A A6 F9 84 02 00 00 20 EE A6 F9 84 02 00 00 
{62} normal block at 0x00000284F9A67F50, 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 0x00000284F9A67E60, 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 0x00000284F9A67C80, 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 0x00000284F9A677D0, 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 0x00000284F9A67320, 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 0x00000284F9A672D0, 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 0x00000284F9A681D0, 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 0x00000284F9A67500, 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 0x00000284F9A675F0, 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 0x00000284F9A67550, 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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