Task 38664215

Name test_72-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0864_0
Workunit 31607385
Created 24 Oct 2026, 23:21:06 UTC
Sent 24 Oct 2026, 23:21:14 UTC
Report deadline 29 Oct 2026, 23:21:14 UTC
Received 25 Oct 2026, 4:46:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 5 hours 14 min 56 sec
CPU time 5 hours 14 min 56 sec
Validate state Valid
Credit 600,000.00
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 687.01 MB
Peak swap size 3.55 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:35:30 (4340): wrapper (7.9.26016): starting
07:35:30 (4340): 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
07:35:32 (4340): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:35:32 (4340): 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
12:46:15 (4340): C:/Windows/system32/cmd.exe exited; CPU time 18896.390625
12:46:15 (4340): 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: 242400305 bytes.
Dumping objects ->
{3835056} normal block at 0x000002983BFD27A0, 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 0x000002983BFD21F0, 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 0x000002983BFD1A80, 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 0x000002983BFD1AF0, 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 0x000002983A41AF70, 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 0x000002983C04B540, 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 0x000002983A419540, 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 0x000002983A4165E0, 8 bytes long.
 Data: <  &#225;;    > 00 00 E1 3B 98 02 00 00 
{3834466} normal block at 0x000002983A418990, 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 0x000002983A416400, 8 bytes long.
 Data: <0&#228;&#250;;    > 30 E4 FA 3B 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002983A4221D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002983A405B00, 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 0x000002983A423BC0, 16 bytes long.
 Data: <&#200;BB:            > C8 42 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002983A423490, 16 bytes long.
 Data: <&#160;BB:            > A0 42 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002983A41D930, 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 0x000002983A423800, 16 bytes long.
 Data: <xBB:            > 78 42 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002983A4237B0, 16 bytes long.
 Data: <PBB:            > 50 42 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002983A423990, 16 bytes long.
 Data: <(BB:            > 28 42 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002983A423440, 16 bytes long.
 Data: < BB:            > 00 42 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002983A41B600, 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 0x000002983A4233A0, 16 bytes long.
 Data: < Z@:            > 98 5A 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002983A41DB70, 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 0x000002983A423A80, 16 bytes long.
 Data: <pZ@:            > 70 5A 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002983A423080, 16 bytes long.
 Data: <HZ@:            > 48 5A 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002983A422FE0, 16 bytes long.
 Data: < Z@:            > 20 5A 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002983A423C10, 16 bytes long.
 Data: <&#248;Y@:            > F8 59 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002983A4230D0, 16 bytes long.
 Data: <&#208;Y@:            > D0 59 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002983A423D50, 16 bytes long.
 Data: <&#168;Y@:            > A8 59 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002983A41D630, 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 0x000002983A423300, 16 bytes long.
 Data: < Y@:            > 80 59 40 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002983A405980, 320 bytes long.
 Data: < 3B:    0&#214;A:    > 00 33 42 3A 98 02 00 00 30 D6 41 3A 98 02 00 00 
{267} normal block at 0x000002983A4232B0, 16 bytes long.
 Data: <&#224;AB:            > E0 41 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002983A423C60, 16 bytes long.
 Data: <&#184;AB:            > B8 41 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002983A41D5D0, 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 0x000002983A423E90, 16 bytes long.
 Data: < AB:            > 90 41 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002983A41DED0, 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 0x000002983A4233F0, 16 bytes long.
 Data: <&#216;@B:            > D8 40 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002983A423350, 16 bytes long.
 Data: <&#176;@B:            > B0 40 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002983A423030, 16 bytes long.
 Data: < @B:            > 88 40 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002983A423CB0, 16 bytes long.
 Data: <`@B:            > 60 40 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002983A423DF0, 16 bytes long.
 Data: <8@B:            > 38 40 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002983A423120, 16 bytes long.
 Data: < @B:            > 10 40 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002983A423850, 16 bytes long.
 Data: < &#181;A:            > 20 B5 41 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002983A41B520, 40 bytes long.
 Data: <P8B:    @&#181; <    > 50 38 42 3A 98 02 00 00 40 B5 04 3C 98 02 00 00 
{253} normal block at 0x000002983A423210, 16 bytes long.
 Data: <&#240;?B:            > F0 3F 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002983A423DA0, 16 bytes long.
 Data: <&#200;?B:            > C8 3F 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002983A41D450, 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 0x000002983A423D00, 16 bytes long.
 Data: <&#160;?B:            > A0 3F 42 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002983A423FA0, 992 bytes long.
 Data: < =B:    P&#212;A:    > 00 3D 42 3A 98 02 00 00 50 D4 41 3A 98 02 00 00 
{85} normal block at 0x000002983A41D390, 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 0x000002983A416DB0, 16 bytes long.
 Data: <&#208;&#179;A:            > D0 B3 41 3A 98 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002983A41B3D0, 40 bytes long.
 Data: <&#176;mA:     &#211;A:    > B0 6D 41 3A 98 02 00 00 90 D3 41 3A 98 02 00 00 
{62} normal block at 0x000002983A416720, 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 0x000002983A4169F0, 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 0x000002983A4163B0, 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 0x000002983A416E50, 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 0x000002983A416270, 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 0x000002983A416F90, 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 0x000002983A416E00, 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 0x000002983A416F40, 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 0x000002983A416680, 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 0x000002983A416B30, 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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