Task 38688010

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2745_0
Workunit 31629380
Created 28 Oct 2026, 11:03:31 UTC
Sent 28 Oct 2026, 11:03:43 UTC
Report deadline 2 Nov 2026, 11:03:43 UTC
Received 28 Oct 2026, 12:12:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 33 min 59 sec
CPU time 30 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.27 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:39:24 (19532): wrapper (7.9.26016): starting
06:39:24 (19532): 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
06:39:26 (19532): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:39:26 (19532): 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\1\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\1\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
07:12:02 (19532): C:/Windows/system32/cmd.exe exited; CPU time 1858.171875
07:12:02 (19532): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 44194901 bytes.
Dumping objects ->
{3835265} normal block at 0x00000166F777AAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000166F7754950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x00000166F7755050, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x00000166F7754FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x00000166F7754F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x00000166F9495170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835177} normal block at 0x00000166F774F5A0, 8 bytes long.
 Data: <  &#201;&#247;f   > 00 00 C9 F7 66 01 00 00 
{3833963} normal block at 0x00000166F774F0A0, 8 bytes long.
 Data: <0&#223;J&#249;f   > 30 DF 4A F9 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000166F77517F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000166F7746450, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000166F7755970, 16 bytes long.
 Data: <Hhu&#247;f           > 48 68 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000166F7755BF0, 16 bytes long.
 Data: < hu&#247;f           > 20 68 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000166F7750620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000166F7755F10, 16 bytes long.
 Data: <&#248;gu&#247;f           > F8 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000166F7755920, 16 bytes long.
 Data: <&#208;gu&#247;f           > D0 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000166F7755830, 16 bytes long.
 Data: <&#168;gu&#247;f           > A8 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000166F7755560, 16 bytes long.
 Data: < gu&#247;f           > 80 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000166F7754C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000166F7755EC0, 16 bytes long.
 Data: <&#248;&#182;s&#247;f           > F8 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000166F774FB40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000166F7756000, 16 bytes long.
 Data: <&#208;&#182;s&#247;f           > D0 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000166F77559C0, 16 bytes long.
 Data: <&#168;&#182;s&#247;f           > A8 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000166F77557E0, 16 bytes long.
 Data: < &#182;s&#247;f           > 80 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000166F7755790, 16 bytes long.
 Data: <X&#182;s&#247;f           > 58 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000166F7755E20, 16 bytes long.
 Data: <0&#182;s&#247;f           > 30 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000166F77556F0, 16 bytes long.
 Data: < &#182;s&#247;f           > 08 B6 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000166F774FA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000166F7755650, 16 bytes long.
 Data: <&#224;&#181;s&#247;f           > E0 B5 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000166F773B5E0, 320 bytes long.
 Data: <PVu&#247;f    &#250;t&#247;f   > 50 56 75 F7 66 01 00 00 20 FA 74 F7 66 01 00 00 
{277} normal block at 0x00000166F77558D0, 16 bytes long.
 Data: <`gu&#247;f           > 60 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000166F7756410, 16 bytes long.
 Data: <8gu&#247;f           > 38 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000166F7750560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000166F7755740, 16 bytes long.
 Data: < gu&#247;f           > 10 67 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000166F7750500, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000166F7755BA0, 16 bytes long.
 Data: <Xfu&#247;f           > 58 66 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000166F7756460, 16 bytes long.
 Data: <0fu&#247;f           > 30 66 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000166F7755DD0, 16 bytes long.
 Data: < fu&#247;f           > 08 66 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000166F7755D80, 16 bytes long.
 Data: <&#224;eu&#247;f           > E0 65 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000166F77556A0, 16 bytes long.
 Data: <&#184;eu&#247;f           > B8 65 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000166F7755880, 16 bytes long.
 Data: < eu&#247;f           > 90 65 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000166F7756050, 16 bytes long.
 Data: <@Mu&#247;f           > 40 4D 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000166F7754D40, 40 bytes long.
 Data: <P`u&#247;f   pQI&#249;f   > 50 60 75 F7 66 01 00 00 70 51 49 F9 66 01 00 00 
{263} normal block at 0x00000166F7755A60, 16 bytes long.
 Data: <peu&#247;f           > 70 65 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000166F7755B50, 16 bytes long.
 Data: <Heu&#247;f           > 48 65 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000166F774FC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000166F77563C0, 16 bytes long.
 Data: < eu&#247;f           > 20 65 75 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000166F7756520, 992 bytes long.
 Data: <&#192;cu&#247;f   `&#252;t&#247;f   > C0 63 75 F7 66 01 00 00 60 FC 74 F7 66 01 00 00 
{95} normal block at 0x00000166F77508C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000166F774F3C0, 16 bytes long.
 Data: <&#240;&#229;s&#247;f           > F0 E5 73 F7 66 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000166F773E5F0, 40 bytes long.
 Data: <&#192;&#243;t&#247;f   &#192; u&#247;f   > C0 F3 74 F7 66 01 00 00 C0 08 75 F7 66 01 00 00 
{72} normal block at 0x00000166F774EBF0, 16 bytes long.
 Data: < &#234;L7&#247;           > 80 EA 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000166F774F320, 16 bytes long.
 Data: <@&#233;L7&#247;           > 40 E9 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000166F774EA60, 16 bytes long.
 Data: <&#248;WI7&#247;           > F8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000166F774F050, 16 bytes long.
 Data: <&#216;WI7&#247;           > D8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000166F774F370, 16 bytes long.
 Data: <P I7&#247;           > 50 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000166F774ED30, 16 bytes long.
 Data: <0 I7&#247;           > 30 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000166F774EBA0, 16 bytes long.
 Data: <&#224; I7&#247;           > E0 02 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000166F774F1E0, 16 bytes long.
 Data: <  I7&#247;           > 10 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000166F774EB50, 16 bytes long.
 Data: <p I7&#247;           > 70 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000166F774F730, 16 bytes long.
 Data: < &#192;G7&#247;           > 18 C0 47 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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