Task 38679444

Name test_101-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7693_0
Workunit 31621218
Created 26 Oct 2026, 20:36:16 UTC
Sent 26 Oct 2026, 20:36:22 UTC
Report deadline 31 Oct 2026, 20:36:22 UTC
Received 26 Oct 2026, 21:26:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 22 min 53 sec
CPU time 21 min 13 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 770.14 MB
Peak swap size 10.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:04:07 (23452): wrapper (7.9.26016): starting
23:04:07 (23452): 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
23:04:08 (23452): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:04:08 (23452): 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
23:26:14 (23452): C:/Windows/system32/cmd.exe exited; CPU time 1273.046875
23:26:14 (23452): 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: 20769785 bytes.
Dumping objects ->
{3835317} normal block at 0x000002579F3D5F20, 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 0x000002579F3D5EB0, 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 0x000002579F3D5C80, 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 0x000002579F3D5CF0, 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 0x000002579F3D5F90, 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 0x00000257A10F5910, 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 0x00000257A110F690, 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 0x000002579F3CE3F0, 8 bytes long.
 Data: <  y W   > 00 00 79 9F 57 02 00 00 
{3834592} normal block at 0x00000257A110F7F0, 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 0x000002579F3CEA80, 8 bytes long.
 Data: <@[  W   > 40 5B 18 A1 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002579F3D2490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002579F3C6D50, 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 0x000002579F3D69B0, 16 bytes long.
 Data: <hv= W           > 68 76 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002579F3D6FF0, 16 bytes long.
 Data: <@v= W           > 40 76 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002579F3D0600, 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 0x000002579F3D6AF0, 16 bytes long.
 Data: < v= W           > 18 76 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002579F3D6230, 16 bytes long.
 Data: <&#240;u= W           > F0 75 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002579F3D6460, 16 bytes long.
 Data: <&#200;u= W           > C8 75 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002579F3D6320, 16 bytes long.
 Data: <&#160;u= W           > A0 75 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002579F3D5B30, 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 0x000002579F3D60A0, 16 bytes long.
 Data: <8&#186;; W           > 38 BA 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002579F3D0540, 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 0x000002579F3D6960, 16 bytes long.
 Data: < &#186;; W           > 10 BA 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002579F3D6EB0, 16 bytes long.
 Data: <&#232;&#185;; W           > E8 B9 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002579F3D6910, 16 bytes long.
 Data: <&#192;&#185;; W           > C0 B9 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002579F3D67D0, 16 bytes long.
 Data: < &#185;; W           > 98 B9 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002579F3D6870, 16 bytes long.
 Data: <p&#185;; W           > 70 B9 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002579F3D63C0, 16 bytes long.
 Data: <H&#185;; W           > 48 B9 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002579F3D0480, 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 0x000002579F3D64B0, 16 bytes long.
 Data: < &#185;; W           > 20 B9 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002579F3BB920, 320 bytes long.
 Data: <&#176;d= W     = W   > B0 64 3D 9F 57 02 00 00 80 04 3D 9F 57 02 00 00 
{280} normal block at 0x000002579F3D6B40, 16 bytes long.
 Data: < u= W           > 80 75 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002579F3D6190, 16 bytes long.
 Data: <Xu= W           > 58 75 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002579F3CFD00, 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 0x000002579F3D6730, 16 bytes long.
 Data: <0u= W           > 30 75 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002579F3D0420, 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 0x000002579F3D6780, 16 bytes long.
 Data: <xt= W           > 78 74 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002579F3D6140, 16 bytes long.
 Data: <Pt= W           > 50 74 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002579F3D6E60, 16 bytes long.
 Data: <(t= W           > 28 74 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002579F3D68C0, 16 bytes long.
 Data: < t= W           > 00 74 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002579F3D6CD0, 16 bytes long.
 Data: <&#216;s= W           > D8 73 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002579F3D6500, 16 bytes long.
 Data: <&#176;s= W           > B0 73 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002579F3D6640, 16 bytes long.
 Data: <`]= W           > 60 5D 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002579F3D5D60, 40 bytes long.
 Data: <@f= W    Y  W   > 40 66 3D 9F 57 02 00 00 10 59 0F A1 57 02 00 00 
{266} normal block at 0x000002579F3D6DC0, 16 bytes long.
 Data: < s= W           > 90 73 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002579F3D6B90, 16 bytes long.
 Data: <hs= W           > 68 73 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002579F3CFE20, 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 0x000002579F3D6C80, 16 bytes long.
 Data: <@s= W           > 40 73 3D 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002579F3D7340, 992 bytes long.
 Data: < l= W    &#254;< W   > 80 6C 3D 9F 57 02 00 00 20 FE 3C 9F 57 02 00 00 
{98} normal block at 0x000002579F3D0120, 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 0x000002579F3CE120, 16 bytes long.
 Data: <p&#228;; W           > 70 E4 3B 9F 57 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002579F3BE470, 40 bytes long.
 Data: < &#225;< W     = W   > 20 E1 3C 9F 57 02 00 00 20 01 3D 9F 57 02 00 00 
{75} normal block at 0x000002579F3CE0D0, 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 0x000002579F3CE7B0, 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 0x000002579F3CDE00, 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 0x000002579F3CE440, 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 0x000002579F3CE760, 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 0x000002579F3CE530, 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 0x000002579F3CE080, 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 0x000002579F3CE350, 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 0x000002579F3CE850, 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 0x000002579F3CE8A0, 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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