Task 38681216

Name test_752-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7683_0
Workunit 31622894
Created 27 Oct 2026, 3:06:19 UTC
Sent 27 Oct 2026, 3:06:24 UTC
Report deadline 1 Nov 2026, 3:06:24 UTC
Received 27 Oct 2026, 7:04:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 8 sec
CPU time 33 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.73 MB
Peak swap size 12.92 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:28:44 (32004): wrapper (7.9.26016): starting
02:28:44 (32004): 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
02:28:45 (32004): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:28:45 (32004): 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\11\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\11\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
03:03:33 (32004): C:/Windows/system32/cmd.exe exited; CPU time 2012.140625
03:03:33 (32004): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41628961 bytes.
Dumping objects ->
{3835559} normal block at 0x0000020C0B13D820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000020C09405300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000020C09405290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x0000020C094050D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000020C094055A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x0000020C0B187740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x0000020C0946AD90, 140 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) : {3835470} normal block at 0x0000020C093FDCE0, 8 bytes long.
 Data: <   	    > 00 00 81 09 0C 02 00 00 
{3834709} normal block at 0x0000020C0946B4E0, 140 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 0x0000020C093FE7D0, 8 bytes long.
 Data: <&#240;Y!     > F0 59 21 0B 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020C094022F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020C093F76E0, 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 0x0000020C09406920, 16 bytes long.
 Data: <&#216;t@	            > D8 74 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020C09406650, 16 bytes long.
 Data: <&#176;t@	            > B0 74 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C093FFEC0, 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 0x0000020C094069C0, 16 bytes long.
 Data: < t@	            > 88 74 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C09406B50, 16 bytes long.
 Data: <`t@	            > 60 74 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C094065B0, 16 bytes long.
 Data: <8t@	            > 38 74 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C094068D0, 16 bytes long.
 Data: < t@	            > 10 74 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C09405140, 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 0x0000020C09406830, 16 bytes long.
 Data: <&#168;]@	            > A8 5D 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C09400580, 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 0x0000020C09406560, 16 bytes long.
 Data: < ]@	            > 80 5D 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C09407050, 16 bytes long.
 Data: <X]@	            > 58 5D 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C094067E0, 16 bytes long.
 Data: <0]@	            > 30 5D 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C09406BF0, 16 bytes long.
 Data: < ]@	            > 08 5D 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C09406790, 16 bytes long.
 Data: <&#224;\@	            > E0 5C 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C09406510, 16 bytes long.
 Data: <&#184;\@	            > B8 5C 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C093FFD40, 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 0x0000020C094064C0, 16 bytes long.
 Data: < \@	            > 90 5C 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C09405C90, 320 bytes long.
 Data: <&#192;d@	    @&#253;?	    > C0 64 40 09 0C 02 00 00 40 FD 3F 09 0C 02 00 00 
{278} normal block at 0x0000020C09406880, 16 bytes long.
 Data: <&#240;s@	            > F0 73 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C09407000, 16 bytes long.
 Data: <&#200;s@	            > C8 73 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C093FFCE0, 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 0x0000020C09406600, 16 bytes long.
 Data: <&#160;s@	            > A0 73 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C093FFB60, 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 0x0000020C094063D0, 16 bytes long.
 Data: <&#232;r@	            > E8 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C09406FB0, 16 bytes long.
 Data: <&#192;r@	            > C0 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C094066F0, 16 bytes long.
 Data: < r@	            > 98 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C094061F0, 16 bytes long.
 Data: <pr@	            > 70 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C09406C40, 16 bytes long.
 Data: <Hr@	            > 48 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C09406740, 16 bytes long.
 Data: < r@	            > 20 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C09406F60, 16 bytes long.
 Data: <pS@	            > 70 53 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C09405370, 40 bytes long.
 Data: <`o@	    @w      > 60 6F 40 09 0C 02 00 00 40 77 18 0B 0C 02 00 00 
{264} normal block at 0x0000020C09406420, 16 bytes long.
 Data: < r@	            > 00 72 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C094070F0, 16 bytes long.
 Data: <&#216;q@	            > D8 71 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C094002E0, 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 0x0000020C09406EC0, 16 bytes long.
 Data: <&#176;q@	            > B0 71 40 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C094071B0, 992 bytes long.
 Data: <&#192;n@	    &#224; @	    > C0 6E 40 09 0C 02 00 00 E0 02 40 09 0C 02 00 00 
{96} normal block at 0x0000020C09400160, 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 0x0000020C093FD970, 16 bytes long.
 Data: < &#205;>	            > 80 CD 3E 09 0C 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020C093ECD80, 40 bytes long.
 Data: <p&#217;?	    ` @	    > 70 D9 3F 09 0C 02 00 00 60 01 40 09 0C 02 00 00 
{73} normal block at 0x0000020C093FDD80, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020C093FE000, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020C093FDB00, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020C093FE500, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C093FE780, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C093FDDD0, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C093FD920, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C093FE320, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C093FDC90, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C093FDFB0, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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