Task 38687226

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8551_0
Workunit 31628620
Created 28 Oct 2026, 6:38:11 UTC
Sent 28 Oct 2026, 6:38:15 UTC
Report deadline 2 Nov 2026, 6:38:15 UTC
Received 28 Oct 2026, 7:59:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 52 min 41 sec
CPU time 50 min 42 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 894.32 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:07:45 (1104): wrapper (7.9.26016): starting
08:07:45 (1104): 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
08:07:47 (1104): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:07:47 (1104): 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
08:59:16 (1104): C:/Windows/system32/cmd.exe exited; CPU time 3042.890625
08:59:16 (1104): 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: 45595659 bytes.
Dumping objects ->
{3835551} normal block at 0x00000234906BE8A0, 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 0x000002348EA46800, 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 0x000002348EA46950, 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 0x000002348EA46790, 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 0x000002348EA46AA0, 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 0x000002349070CA90, 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 0x0000023490720030, 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 0x000002348EA41060, 8 bytes long.
 Data: <  &#235;&#142;4   > 00 00 EB 8E 34 02 00 00 
{3834687} normal block at 0x0000023490720BE0, 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 0x000002348EA40930, 8 bytes long.
 Data: <`hv 4   > 60 68 76 90 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002348EA434E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002348EA37FE0, 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 0x000002348EA478E0, 16 bytes long.
 Data: < &#130;&#164;&#142;4           > 18 82 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002348EA470C0, 16 bytes long.
 Data: <&#240; &#164;&#142;4           > F0 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002348EA423D0, 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 0x000002348EA47930, 16 bytes long.
 Data: <&#200; &#164;&#142;4           > C8 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002348EA474D0, 16 bytes long.
 Data: <&#160; &#164;&#142;4           > A0 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002348EA47480, 16 bytes long.
 Data: <x &#164;&#142;4           > 78 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002348EA47430, 16 bytes long.
 Data: <P &#164;&#142;4           > 50 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002348EA46CD0, 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 0x000002348EA477A0, 16 bytes long.
 Data: <  &#164;&#142;4           > 88 04 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002348EA41710, 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 0x000002348EA472F0, 16 bytes long.
 Data: <` &#164;&#142;4           > 60 04 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002348EA472A0, 16 bytes long.
 Data: <8 &#164;&#142;4           > 38 04 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002348EA47160, 16 bytes long.
 Data: <  &#164;&#142;4           > 10 04 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002348EA47610, 16 bytes long.
 Data: <&#232; &#164;&#142;4           > E8 03 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002348EA47D40, 16 bytes long.
 Data: <&#192; &#164;&#142;4           > C0 03 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002348EA47070, 16 bytes long.
 Data: <  &#164;&#142;4           > 98 03 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002348EA42130, 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 0x000002348EA47B60, 16 bytes long.
 Data: <p &#164;&#142;4           > 70 03 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002348EA40370, 320 bytes long.
 Data: <`{&#164;&#142;4   0!&#164;&#142;4   > 60 7B A4 8E 34 02 00 00 30 21 A4 8E 34 02 00 00 
{278} normal block at 0x000002348EA47750, 16 bytes long.
 Data: <0 &#164;&#142;4           > 30 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002348EA47A20, 16 bytes long.
 Data: <  &#164;&#142;4           > 08 81 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002348EA41CB0, 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 0x000002348EA46F80, 16 bytes long.
 Data: <&#224; &#164;&#142;4           > E0 80 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002348EA419B0, 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 0x000002348EA473E0, 16 bytes long.
 Data: <( &#164;&#142;4           > 28 80 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002348EA47890, 16 bytes long.
 Data: <  &#164;&#142;4           > 00 80 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002348EA476B0, 16 bytes long.
 Data: <&#216; &#164;&#142;4           > D8 7F A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002348EA47390, 16 bytes long.
 Data: <&#176; &#164;&#142;4           > B0 7F A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002348EA47250, 16 bytes long.
 Data: <  &#164;&#142;4           > 88 7F A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002348EA47BB0, 16 bytes long.
 Data: <` &#164;&#142;4           > 60 7F A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002348EA46F30, 16 bytes long.
 Data: <ph&#164;&#142;4           > 70 68 A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002348EA46870, 40 bytes long.
 Data: <0o&#164;&#142;4    &#202;p 4   > 30 6F A4 8E 34 02 00 00 90 CA 70 90 34 02 00 00 
{264} normal block at 0x000002348EA47340, 16 bytes long.
 Data: <@ &#164;&#142;4           > 40 7F A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002348EA47200, 16 bytes long.
 Data: <  &#164;&#142;4           > 18 7F A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002348EA41890, 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 0x000002348EA475C0, 16 bytes long.
 Data: <&#240;~&#164;&#142;4           > F0 7E A4 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002348EA47EF0, 992 bytes long.
 Data: <&#192;u&#164;&#142;4     &#164;&#142;4   > C0 75 A4 8E 34 02 00 00 90 18 A4 8E 34 02 00 00 
{96} normal block at 0x000002348EA424F0, 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 0x000002348EA40F20, 16 bytes long.
 Data: <  &#163;&#142;4           > 10 0B A3 8E 34 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002348EA30B10, 40 bytes long.
 Data: <  &#164;&#142;4   &#240;$&#164;&#142;4   > 20 0F A4 8E 34 02 00 00 F0 24 A4 8E 34 02 00 00 
{73} normal block at 0x000002348EA40840, 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 0x000002348EA413D0, 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 0x000002348EA41380, 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 0x000002348EA40C00, 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 0x000002348EA40DE0, 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 0x000002348EA40C50, 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 0x000002348EA40CF0, 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 0x000002348EA40F70, 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 0x000002348EA407F0, 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 0x000002348EA407A0, 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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