Task 38648186

Name test_27-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND4389_0
Workunit 31592898
Created 23 Oct 2026, 20:33:38 UTC
Sent 23 Oct 2026, 22:27:52 UTC
Report deadline 28 Oct 2026, 22:27:52 UTC
Received 23 Oct 2026, 23:46:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 13 min 50 sec
CPU time 1 hours 12 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.16 MB
Peak swap size 6.69 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:32:44 (11716): wrapper (7.9.26016): starting
15:32:44 (11716): 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
15:32:45 (11716): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:32:45 (11716): 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\1\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\1\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
16:45:56 (11716): C:/Windows/system32/cmd.exe exited; CPU time 4342.031250
16:45:56 (11716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 78556393 bytes.
Dumping objects ->
{3835633} normal block at 0x0000021ED6275820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x0000021ED6275190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x0000021ED6275200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x0000021ED46E5DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x0000021ED46E5C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x0000021ED6217030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000021ED612E8D0, 195 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) : {3835544} normal block at 0x0000021ED46DE780, 8 bytes long.
 Data: <  &#183;&#212;    > 00 00 B7 D4 1E 02 00 00 
{3834742} normal block at 0x0000021ED46CCA70, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000021ED46DDFB0, 8 bytes long.
 Data: <P&#233;"&#214;    > 50 E9 22 D6 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021ED46E2280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021ED46D7290, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000021ED46E68A0, 16 bytes long.
 Data: < xn&#212;            > 18 78 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021ED46E6670, 16 bytes long.
 Data: <&#240;wn&#212;            > F0 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021ED46E0770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000021ED46E72F0, 16 bytes long.
 Data: <&#200;wn&#212;            > C8 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021ED46E7110, 16 bytes long.
 Data: <&#160;wn&#212;            > A0 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021ED46E73E0, 16 bytes long.
 Data: <xwn&#212;            > 78 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021ED46E7250, 16 bytes long.
 Data: <Pwn&#212;            > 50 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021ED46E5BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000021ED46E6620, 16 bytes long.
 Data: <x n&#212;            > 78 01 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021ED46E0890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000021ED46E6AD0, 16 bytes long.
 Data: <P n&#212;            > 50 01 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021ED46E65D0, 16 bytes long.
 Data: <( n&#212;            > 28 01 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021ED46E6850, 16 bytes long.
 Data: <  n&#212;            > 00 01 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021ED46E6CB0, 16 bytes long.
 Data: <&#216; n&#212;            > D8 00 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021ED46E6E40, 16 bytes long.
 Data: <&#176; n&#212;            > B0 00 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021ED46E6A80, 16 bytes long.
 Data: <  n&#212;            > 88 00 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021ED46E0E30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000021ED46E6800, 16 bytes long.
 Data: <` n&#212;            > 60 00 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021ED46E0060, 320 bytes long.
 Data: < hn&#212;    0 n&#212;    > 00 68 6E D4 1E 02 00 00 30 0E 6E D4 1E 02 00 00 
{279} normal block at 0x0000021ED46E6BC0, 16 bytes long.
 Data: <0wn&#212;            > 30 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021ED46E7070, 16 bytes long.
 Data: < wn&#212;            > 08 77 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021ED46E0710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000021ED46E6940, 16 bytes long.
 Data: <&#224;vn&#212;            > E0 76 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021ED46E0B90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000021ED46E6580, 16 bytes long.
 Data: <(vn&#212;            > 28 76 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021ED46E7390, 16 bytes long.
 Data: < vn&#212;            > 00 76 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021ED46E7340, 16 bytes long.
 Data: <&#216;un&#212;            > D8 75 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021ED46E72A0, 16 bytes long.
 Data: <&#176;un&#212;            > B0 75 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021ED46E6A30, 16 bytes long.
 Data: < un&#212;            > 88 75 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021ED46E67B0, 16 bytes long.
 Data: <`un&#212;            > 60 75 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021ED46E68F0, 16 bytes long.
 Data: <&#176;_n&#212;            > B0 5F 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021ED46E5FB0, 40 bytes long.
 Data: <&#240;hn&#212;    0p!&#214;    > F0 68 6E D4 1E 02 00 00 30 70 21 D6 1E 02 00 00 
{265} normal block at 0x0000021ED46E6760, 16 bytes long.
 Data: <@un&#212;            > 40 75 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021ED46E7430, 16 bytes long.
 Data: < un&#212;            > 18 75 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021ED46E0D70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000021ED46E6530, 16 bytes long.
 Data: <&#240;tn&#212;            > F0 74 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021ED46E74F0, 992 bytes long.
 Data: <0en&#212;    p n&#212;    > 30 65 6E D4 1E 02 00 00 70 0D 6E D4 1E 02 00 00 
{97} normal block at 0x0000021ED46E0E90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000021ED46DE730, 16 bytes long.
 Data: < Yn&#212;            > 90 59 6E D4 1E 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021ED46E5990, 40 bytes long.
 Data: <0&#231;m&#212;      n&#212;    > 30 E7 6D D4 1E 02 00 00 90 0E 6E D4 1E 02 00 00 
{74} normal block at 0x0000021ED46DE820, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021ED46DE640, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021ED46DECD0, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021ED46DE5A0, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021ED46DE5F0, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021ED46DE280, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021ED46DEB40, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021ED46DEA50, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021ED46DEA00, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021ED46DEAF0, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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