Task 38675982

Name test_32-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7887_0
Workunit 31617922
Created 26 Oct 2026, 9:54:53 UTC
Sent 26 Oct 2026, 9:54:56 UTC
Report deadline 31 Oct 2026, 9:54:56 UTC
Received 26 Oct 2026, 10:14:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 19 min 6 sec
CPU time 18 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.45 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:55:43 (16648): wrapper (7.9.26016): starting
10:55:43 (16648): 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
10:55:44 (16648): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:55:44 (16648): 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
11:14:35 (16648): C:/Windows/system32/cmd.exe exited; CPU time 1125.296875
11:14:35 (16648): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 24042207 bytes.
Dumping objects ->
{3835519} normal block at 0x00000299DAC29270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x00000299DAC29CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x00000299DAC29900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x00000299DAC29C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x00000299DAC29820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x00000299D8E8F870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x00000299D8E63290, 8 bytes long.
 Data: <  &#226;&#216;    > 00 00 E2 D8 99 02 00 00 
{3833967} normal block at 0x00000299D8E63880, 8 bytes long.
 Data: <` &#191;&#218;    > 60 7F BF DA 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000299D8E657E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000299D8E5A980, 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 0x00000299D8E6A110, 16 bytes long.
 Data: <&#216;&#166;&#230;&#216;            > D8 A6 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000299D8E696C0, 16 bytes long.
 Data: <&#176;&#166;&#230;&#216;            > B0 A6 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000299D8E64470, 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 0x00000299D8E69DA0, 16 bytes long.
 Data: < &#166;&#230;&#216;            > 88 A6 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000299D8E69BC0, 16 bytes long.
 Data: <`&#166;&#230;&#216;            > 60 A6 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000299D8E69800, 16 bytes long.
 Data: <8&#166;&#230;&#216;            > 38 A6 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000299D8E6A0C0, 16 bytes long.
 Data: < &#166;&#230;&#216;            > 10 A6 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000299D8E68230, 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 0x00000299D8E69C60, 16 bytes long.
 Data: <&#232;.&#230;&#216;            > E8 2E E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000299D8E64D70, 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 0x00000299D8E69F30, 16 bytes long.
 Data: <&#192;.&#230;&#216;            > C0 2E E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000299D8E69670, 16 bytes long.
 Data: < .&#230;&#216;            > 98 2E E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000299D8E697B0, 16 bytes long.
 Data: <p.&#230;&#216;            > 70 2E E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000299D8E6A200, 16 bytes long.
 Data: <H.&#230;&#216;            > 48 2E E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000299D8E69B20, 16 bytes long.
 Data: < .&#230;&#216;            > 20 2E E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000299D8E69E40, 16 bytes long.
 Data: <&#248;-&#230;&#216;            > F8 2D E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000299D8E645F0, 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 0x00000299D8E6A340, 16 bytes long.
 Data: <&#208;-&#230;&#216;            > D0 2D E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000299D8E62DD0, 320 bytes long.
 Data: <@&#163;&#230;&#216;    &#240;E&#230;&#216;    > 40 A3 E6 D8 99 02 00 00 F0 45 E6 D8 99 02 00 00 
{279} normal block at 0x00000299D8E69990, 16 bytes long.
 Data: <&#240;&#165;&#230;&#216;            > F0 A5 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000299D8E69DF0, 16 bytes long.
 Data: <&#200;&#165;&#230;&#216;            > C8 A5 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000299D8E64830, 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 0x00000299D8E69CB0, 16 bytes long.
 Data: <&#160;&#165;&#230;&#216;            > A0 A5 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000299D8E64590, 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 0x00000299D8E69580, 16 bytes long.
 Data: <&#232;&#164;&#230;&#216;            > E8 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000299D8E69440, 16 bytes long.
 Data: <&#192;&#164;&#230;&#216;            > C0 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000299D8E6A1B0, 16 bytes long.
 Data: < &#164;&#230;&#216;            > 98 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000299D8E699E0, 16 bytes long.
 Data: <p&#164;&#230;&#216;            > 70 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000299D8E69FD0, 16 bytes long.
 Data: <H&#164;&#230;&#216;            > 48 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000299D8E69620, 16 bytes long.
 Data: < &#164;&#230;&#216;            > 20 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000299D8E6A070, 16 bytes long.
 Data: <&#160;{&#230;&#216;            > A0 7B E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000299D8E67BA0, 40 bytes long.
 Data: <p&#160;&#230;&#216;    p&#248;&#232;&#216;    > 70 A0 E6 D8 99 02 00 00 70 F8 E8 D8 99 02 00 00 
{265} normal block at 0x00000299D8E69C10, 16 bytes long.
 Data: < &#164;&#230;&#216;            > 00 A4 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000299D8E69940, 16 bytes long.
 Data: <&#216;&#163;&#230;&#216;            > D8 A3 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000299D8E64BF0, 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 0x00000299D8E6A160, 16 bytes long.
 Data: <&#176;&#163;&#230;&#216;            > B0 A3 E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000299D8E6A3B0, 992 bytes long.
 Data: <`&#161;&#230;&#216;    &#240;K&#230;&#216;    > 60 A1 E6 D8 99 02 00 00 F0 4B E6 D8 99 02 00 00 
{97} normal block at 0x00000299D8E643B0, 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 0x00000299D8E63EC0, 16 bytes long.
 Data: <  &#230;&#216;            > 90 7F E6 D8 99 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000299D8E67F90, 40 bytes long.
 Data: <&#192;>&#230;&#216;    &#176;C&#230;&#216;    > C0 3E E6 D8 99 02 00 00 B0 43 E6 D8 99 02 00 00 
{74} normal block at 0x00000299D8E63AB0, 16 bytes long.
 Data: < &#234;T&#146;&#246;           > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000299D8E63830, 16 bytes long.
 Data: <@&#233;T&#146;&#246;           > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000299D8E63470, 16 bytes long.
 Data: <&#248;WQ&#146;&#246;           > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000299D8E63D30, 16 bytes long.
 Data: <&#216;WQ&#146;&#246;           > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000299D8E63DD0, 16 bytes long.
 Data: <P Q&#146;&#246;           > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000299D8E63920, 16 bytes long.
 Data: <0 Q&#146;&#246;           > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000299D8E63E20, 16 bytes long.
 Data: <&#224; Q&#146;&#246;           > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000299D8E63BF0, 16 bytes long.
 Data: <  Q&#146;&#246;           > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000299D8E63010, 16 bytes long.
 Data: <p Q&#146;&#246;           > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000299D8E631F0, 16 bytes long.
 Data: < &#192;O&#146;&#246;           > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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