Task 38686180

Name test_524-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3977_0
Workunit 31627618
Created 28 Oct 2026, 1:08:51 UTC
Sent 28 Oct 2026, 1:08:53 UTC
Report deadline 2 Nov 2026, 1:08:53 UTC
Received 28 Oct 2026, 2:03:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 56 sec
CPU time 50 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 882.06 MB
Peak swap size 6.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:10:35 (17128): wrapper (7.9.26016): starting
02:10:35 (17128): 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
02:10:37 (17128): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:10:37 (17128): 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\8\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\8\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
03:03:20 (17128): C:/Windows/system32/cmd.exe exited; CPU time 3052.515625
03:03:20 (17128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46433767 bytes.
Dumping objects ->
{3835551} normal block at 0x000002379AD73C20, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000023799024C50, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x0000023799024B00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x00000237990249B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x0000023799024A20, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x000002379AD13D40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000002379AD2F000, 102 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) : {3835462} normal block at 0x000002379901F2D0, 8 bytes long.
 Data: <  ` 7   > 00 00 60 99 37 02 00 00 
{3834687} normal block at 0x000002379AD2E870, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002379901F3C0, 8 bytes long.
 Data: < &#222;&#210;&#154;7   > 80 DE D2 9A 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000237990210C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023799016370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000023799025E70, 16 bytes long.
 Data: <Xg  7           > 58 67 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023799026190, 16 bytes long.
 Data: <0g  7           > 30 67 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002379901F9F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000023799025E20, 16 bytes long.
 Data: < g  7           > 08 67 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023799025DD0, 16 bytes long.
 Data: <&#224;f  7           > E0 66 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023799025D80, 16 bytes long.
 Data: <&#184;f  7           > B8 66 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023799025D30, 16 bytes long.
 Data: < f  7           > 90 66 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023799024DA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000023799026320, 16 bytes long.
 Data: <&#168;&#193;  7           > A8 C1 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023799020410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000023799025600, 16 bytes long.
 Data: < &#193;  7           > 80 C1 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023799025740, 16 bytes long.
 Data: <X&#193;  7           > 58 C1 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023799025CE0, 16 bytes long.
 Data: <0&#193;  7           > 30 C1 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023799025C90, 16 bytes long.
 Data: < &#193;  7           > 08 C1 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000237990260A0, 16 bytes long.
 Data: <&#224;&#192;  7           > E0 C0 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023799025C40, 16 bytes long.
 Data: <&#184;&#192;  7           > B8 C0 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000237990202F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000237990255B0, 16 bytes long.
 Data: < &#192;  7           > 90 C0 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002379900C090, 320 bytes long.
 Data: <&#176;U  7   &#240;   7   > B0 55 02 99 37 02 00 00 F0 02 02 99 37 02 00 00 
{278} normal block at 0x0000023799025470, 16 bytes long.
 Data: <pf  7           > 70 66 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023799025B00, 16 bytes long.
 Data: <Hf  7           > 48 66 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000237990200B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000023799025A60, 16 bytes long.
 Data: < f  7           > 20 66 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023799020290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000023799025BF0, 16 bytes long.
 Data: <he  7           > 68 65 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023799026370, 16 bytes long.
 Data: <@e  7           > 40 65 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023799026050, 16 bytes long.
 Data: < e  7           > 18 65 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023799025F60, 16 bytes long.
 Data: <&#240;d  7           > F0 64 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023799026140, 16 bytes long.
 Data: <&#200;d  7           > C8 64 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000237990263C0, 16 bytes long.
 Data: <&#160;d  7           > A0 64 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023799025FB0, 16 bytes long.
 Data: < N  7           > 10 4E 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023799024E10, 40 bytes long.
 Data: <&#176;_  7   @=&#209;&#154;7   > B0 5F 02 99 37 02 00 00 40 3D D1 9A 37 02 00 00 
{264} normal block at 0x0000023799025A10, 16 bytes long.
 Data: < d  7           > 80 64 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023799025BA0, 16 bytes long.
 Data: <Xd  7           > 58 64 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023799020710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000023799025F10, 16 bytes long.
 Data: <0d  7           > 30 64 02 99 37 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023799026430, 992 bytes long.
 Data: < _  7       7   > 10 5F 02 99 37 02 00 00 10 07 02 99 37 02 00 00 
{96} normal block at 0x0000023799020470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002379901F780, 16 bytes long.
 Data: <@&#199;  7           > 40 C7 00 99 37 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002379900C740, 40 bytes long.
 Data: < &#247;  7   p   7   > 80 F7 01 99 37 02 00 00 70 04 02 99 37 02 00 00 
{73} normal block at 0x000002379901F6E0, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002379901F640, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002379901E920, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002379901F230, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002379901F0F0, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002379901F280, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002379901F1E0, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002379901F730, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002379901F190, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002379901F460, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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