Task 38680381

Name test_48-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5772_0
Workunit 31622103
Created 26 Oct 2026, 23:44:40 UTC
Sent 26 Oct 2026, 23:44:44 UTC
Report deadline 31 Oct 2026, 23:44:44 UTC
Received 27 Oct 2026, 0:55:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 25 min 13 sec
CPU time 23 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 773.91 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:31:06 (4188): wrapper (7.9.26016): starting
02:31:06 (4188): 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
02:31:08 (4188): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:31:08 (4188): 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\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 'C:\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
02:55:32 (4188): C:/Windows/system32/cmd.exe exited; CPU time 1400.625000
02:55:32 (4188): 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: 22761393 bytes.
Dumping objects ->
{3835317} normal block at 0x000002F0D9424EF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x000002F0D9425580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000002F0D94254A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x000002F0D9425270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000002F0D9425350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000002F0DB1C8080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002F0DB1DF0D0, 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) : {3835228} normal block at 0x000002F0D941FE60, 8 bytes long.
 Data: <  &#139;&#217;&#240;   > 00 00 8B D9 F0 02 00 00 
{3834592} normal block at 0x000002F0DB1DEE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002F0D941FA50, 8 bytes long.
 Data: <&#160;A%&#219;&#240;   > A0 41 25 DB F0 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002F0D94216E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002F0D9415DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002F0D94257D0, 16 bytes long.
 Data: <xiB&#217;&#240;           > 78 69 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002F0D9425780, 16 bytes long.
 Data: <PiB&#217;&#240;           > 50 69 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002F0D941DCF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002F0D9425B90, 16 bytes long.
 Data: <(iB&#217;&#240;           > 28 69 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002F0D9426130, 16 bytes long.
 Data: < iB&#217;&#240;           > 00 69 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002F0D9425690, 16 bytes long.
 Data: <&#216;hB&#217;&#240;           > D8 68 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002F0D94264A0, 16 bytes long.
 Data: <&#176;hB&#217;&#240;           > B0 68 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002F0D9425510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002F0D9425EB0, 16 bytes long.
 Data: <H&#235;@&#217;&#240;           > 48 EB 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002F0D941DE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002F0D9425A50, 16 bytes long.
 Data: < &#235;@&#217;&#240;           > 20 EB 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002F0D9426090, 16 bytes long.
 Data: <&#248;&#234;@&#217;&#240;           > F8 EA 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002F0D94260E0, 16 bytes long.
 Data: <&#208;&#234;@&#217;&#240;           > D0 EA 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002F0D9425F50, 16 bytes long.
 Data: <&#168;&#234;@&#217;&#240;           > A8 EA 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002F0D9426040, 16 bytes long.
 Data: < &#234;@&#217;&#240;           > 80 EA 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002F0D9426360, 16 bytes long.
 Data: <X&#234;@&#217;&#240;           > 58 EA 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002F0D941D6F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002F0D94263B0, 16 bytes long.
 Data: <0&#234;@&#217;&#240;           > 30 EA 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002F0D940EA30, 320 bytes long.
 Data: <&#176;cB&#217;&#240;   &#240;&#214;A&#217;&#240;   > B0 63 42 D9 F0 02 00 00 F0 D6 41 D9 F0 02 00 00 
{280} normal block at 0x000002F0D9426400, 16 bytes long.
 Data: < hB&#217;&#240;           > 90 68 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002F0D94259B0, 16 bytes long.
 Data: <hhB&#217;&#240;           > 68 68 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002F0D941DC90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002F0D9426270, 16 bytes long.
 Data: <@hB&#217;&#240;           > 40 68 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002F0D941DAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002F0D9425E60, 16 bytes long.
 Data: < gB&#217;&#240;           > 88 67 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002F0D9425D20, 16 bytes long.
 Data: <`gB&#217;&#240;           > 60 67 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002F0D9425C80, 16 bytes long.
 Data: <8gB&#217;&#240;           > 38 67 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002F0D9425730, 16 bytes long.
 Data: < gB&#217;&#240;           > 10 67 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002F0D9425960, 16 bytes long.
 Data: <&#232;fB&#217;&#240;           > E8 66 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002F0D9425CD0, 16 bytes long.
 Data: <&#192;fB&#217;&#240;           > C0 66 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002F0D9425B40, 16 bytes long.
 Data: <&#224;RB&#217;&#240;           > E0 52 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002F0D94252E0, 40 bytes long.
 Data: <@[B&#217;&#240;      &#219;&#240;   > 40 5B 42 D9 F0 02 00 00 80 80 1C DB F0 02 00 00 
{266} normal block at 0x000002F0D9425F00, 16 bytes long.
 Data: <&#160;fB&#217;&#240;           > A0 66 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002F0D9425910, 16 bytes long.
 Data: <xfB&#217;&#240;           > 78 66 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002F0D941DA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002F0D94256E0, 16 bytes long.
 Data: <PfB&#217;&#240;           > 50 66 42 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002F0D9426650, 992 bytes long.
 Data: <&#224;VB&#217;&#240;   P&#218;A&#217;&#240;   > E0 56 42 D9 F0 02 00 00 50 DA 41 D9 F0 02 00 00 
{98} normal block at 0x000002F0D941DBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002F0D941F9B0, 16 bytes long.
 Data: < &#204;@&#217;&#240;           > 00 CC 40 D9 F0 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002F0D940CC00, 40 bytes long.
 Data: <&#176;&#249;A&#217;&#240;   &#208;&#219;A&#217;&#240;   > B0 F9 41 D9 F0 02 00 00 D0 DB 41 D9 F0 02 00 00 
{75} normal block at 0x000002F0D941FE10, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002F0D941F820, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002F0D941F4B0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002F0D941FDC0, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002F0D941FB40, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002F0D941F0A0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002F0D941F320, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002F0D941EF10, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002F0D941EF60, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002F0D941F730, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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