Task 38680193

Name test_823-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6152_0
Workunit 31621925
Created 26 Oct 2026, 23:07:06 UTC
Sent 26 Oct 2026, 23:07:10 UTC
Report deadline 31 Oct 2026, 23:07:10 UTC
Received 26 Oct 2026, 23:39:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 55 sec
CPU time 27 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.49 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:09:51 (1652): wrapper (7.9.26016): starting
23:09:51 (1652): 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
23:09:52 (1652): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:09:52 (1652): 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\12\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\12\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
23:38:39 (1652): C:/Windows/system32/cmd.exe exited; CPU time 1642.765625
23:38:39 (1652): 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: 26341597 bytes.
Dumping objects ->
{3835306} normal block at 0x000002A102F1DB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000002A101425A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x000002A1014259A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x000002A101425930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000002A1014253F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x000002A102F68B20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000002A102F7F310, 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) : {3835217} normal block at 0x000002A101420940, 8 bytes long.
 Data: <  y &#161;   > 00 00 79 01 A1 02 00 00 
{3834571} normal block at 0x000002A102F7FAA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002A101420760, 8 bytes long.
 Data: <0T&#252; &#161;   > 30 54 FC 02 A1 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A101421A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A101416E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002A1014264D0, 16 bytes long.
 Data: <&#248;sB &#161;           > F8 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A101426200, 16 bytes long.
 Data: <&#208;sB &#161;           > D0 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A10141F080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002A101426660, 16 bytes long.
 Data: <&#168;sB &#161;           > A8 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A101426890, 16 bytes long.
 Data: < sB &#161;           > 80 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A101426AC0, 16 bytes long.
 Data: <XsB &#161;           > 58 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A101426E80, 16 bytes long.
 Data: <0sB &#161;           > 30 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A1014255B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002A101426840, 16 bytes long.
 Data: <&#200;\B &#161;           > C8 5C 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A10141F800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002A101426340, 16 bytes long.
 Data: <&#160;\B &#161;           > A0 5C 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A101426480, 16 bytes long.
 Data: <x\B &#161;           > 78 5C 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A1014263E0, 16 bytes long.
 Data: <P\B &#161;           > 50 5C 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A101426430, 16 bytes long.
 Data: <(\B &#161;           > 28 5C 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A1014261B0, 16 bytes long.
 Data: < \B &#161;           > 00 5C 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A101426610, 16 bytes long.
 Data: <&#216;[B &#161;           > D8 5B 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A10141F260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002A1014262A0, 16 bytes long.
 Data: <&#176;[B &#161;           > B0 5B 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A101425BB0, 320 bytes long.
 Data: <&#160;bB &#161;   `&#242;A &#161;   > A0 62 42 01 A1 02 00 00 60 F2 41 01 A1 02 00 00 
{274} normal block at 0x000002A101426930, 16 bytes long.
 Data: < sB &#161;           > 10 73 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A101426750, 16 bytes long.
 Data: <&#232;rB &#161;           > E8 72 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A10141F020, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002A101426390, 16 bytes long.
 Data: <&#192;rB &#161;           > C0 72 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A10141FEC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002A101426DE0, 16 bytes long.
 Data: < rB &#161;           > 08 72 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A101426E30, 16 bytes long.
 Data: <&#224;qB &#161;           > E0 71 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A101426160, 16 bytes long.
 Data: <&#184;qB &#161;           > B8 71 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A1014267F0, 16 bytes long.
 Data: < qB &#161;           > 90 71 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A101427060, 16 bytes long.
 Data: <hqB &#161;           > 68 71 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A1014267A0, 16 bytes long.
 Data: <@qB &#161;           > 40 71 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A101426B60, 16 bytes long.
 Data: <@UB &#161;           > 40 55 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A101425540, 40 bytes long.
 Data: <`kB &#161;    &#139;&#246; &#161;   > 60 6B 42 01 A1 02 00 00 20 8B F6 02 A1 02 00 00 
{260} normal block at 0x000002A1014269D0, 16 bytes long.
 Data: < qB &#161;           > 20 71 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A101426A70, 16 bytes long.
 Data: <&#248;pB &#161;           > F8 70 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A10141FA40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002A101426980, 16 bytes long.
 Data: <&#208;pB &#161;           > D0 70 42 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A1014270D0, 992 bytes long.
 Data: < iB &#161;   @&#250;A &#161;   > 80 69 42 01 A1 02 00 00 40 FA 41 01 A1 02 00 00 
{92} normal block at 0x000002A10141FE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002A101420E90, 16 bytes long.
 Data: < &#242;@ &#161;           > 90 F2 40 01 A1 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002A10140F290, 40 bytes long.
 Data: <  B &#161;   `&#254;A &#161;   > 90 0E 42 01 A1 02 00 00 60 FE 41 01 A1 02 00 00 
{69} normal block at 0x000002A1014200D0, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A101420D00, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A101420E40, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A101420620, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A1014207B0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A101420670, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A101420260, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A101420D50, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A1014202B0, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A101420C60, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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