Task 38673218

Name test_425-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1249_0
Workunit 31615314
Created 26 Oct 2026, 1:52:20 UTC
Sent 26 Oct 2026, 1:52:26 UTC
Report deadline 31 Oct 2026, 1:52:26 UTC
Received 26 Oct 2026, 2:15:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648120
Run time 22 min 3 sec
CPU time 17 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.71 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:53:29 (45000): wrapper (7.9.26016): starting
02:53:29 (45000): 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
02:53:30 (45000): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:53:30 (45000): 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\29\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\29\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
03:14:48 (45000): C:/Windows/system32/cmd.exe exited; CPU time 1077.703125
03:14:48 (45000): 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: 33502925 bytes.
Dumping objects ->
{3835618} normal block at 0x0000017A8524D9D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x0000017A8524E140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x0000017A83584900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x0000017A83584890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x0000017A83584740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x0000017A85294680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000017A852AEF70, 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) : {3835529} normal block at 0x0000017A8357F750, 8 bytes long.
 Data: <  Q&#131;z   > 00 00 51 83 7A 01 00 00 
{3834721} normal block at 0x0000017A852AE470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000017A8357F250, 8 bytes long.
 Data: < E/&#133;z   > 90 45 2F 85 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017A83580960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017A83576A20, 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 0x0000017A83585EE0, 16 bytes long.
 Data: <8fX&#131;z           > 38 66 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017A835858A0, 16 bytes long.
 Data: < fX&#131;z           > 10 66 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017A8357FE10, 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 0x0000017A83585DF0, 16 bytes long.
 Data: <&#232;eX&#131;z           > E8 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017A83585BC0, 16 bytes long.
 Data: <&#192;eX&#131;z           > C0 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017A83585580, 16 bytes long.
 Data: < eX&#131;z           > 98 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017A83585AD0, 16 bytes long.
 Data: <peX&#131;z           > 70 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017A835847B0, 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 0x0000017A83585F30, 16 bytes long.
 Data: < &#181;V&#131;z           > 88 B5 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017A83580050, 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 0x0000017A83585E90, 16 bytes long.
 Data: <`&#181;V&#131;z           > 60 B5 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017A835856C0, 16 bytes long.
 Data: <8&#181;V&#131;z           > 38 B5 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017A83585B20, 16 bytes long.
 Data: < &#181;V&#131;z           > 10 B5 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017A83585620, 16 bytes long.
 Data: <&#232;&#180;V&#131;z           > E8 B4 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017A83585D00, 16 bytes long.
 Data: <&#192;&#180;V&#131;z           > C0 B4 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017A835857B0, 16 bytes long.
 Data: < &#180;V&#131;z           > 98 B4 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017A8357FD50, 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 0x0000017A83585D50, 16 bytes long.
 Data: <p&#180;V&#131;z           > 70 B4 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017A8356B470, 320 bytes long.
 Data: <P]X&#131;z   P&#253;W&#131;z   > 50 5D 58 83 7A 01 00 00 50 FD 57 83 7A 01 00 00 
{277} normal block at 0x0000017A83585CB0, 16 bytes long.
 Data: <PeX&#131;z           > 50 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017A83585A80, 16 bytes long.
 Data: <(eX&#131;z           > 28 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017A8357FFF0, 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 0x0000017A83585FD0, 16 bytes long.
 Data: < eX&#131;z           > 00 65 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017A8357FDB0, 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 0x0000017A83585850, 16 bytes long.
 Data: <HdX&#131;z           > 48 64 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017A83585990, 16 bytes long.
 Data: < dX&#131;z           > 20 64 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017A83585DA0, 16 bytes long.
 Data: <&#248;cX&#131;z           > F8 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017A83585760, 16 bytes long.
 Data: <&#208;cX&#131;z           > D0 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017A83585E40, 16 bytes long.
 Data: <&#168;cX&#131;z           > A8 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017A835862A0, 16 bytes long.
 Data: < cX&#131;z           > 80 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017A83585440, 16 bytes long.
 Data: <0KX&#131;z           > 30 4B 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017A83584B30, 40 bytes long.
 Data: <@TX&#131;z    F)&#133;z   > 40 54 58 83 7A 01 00 00 80 46 29 85 7A 01 00 00 
{263} normal block at 0x0000017A83585800, 16 bytes long.
 Data: <`cX&#131;z           > 60 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017A83585670, 16 bytes long.
 Data: <8cX&#131;z           > 38 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017A8357F810, 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 0x0000017A83586250, 16 bytes long.
 Data: < cX&#131;z           > 10 63 58 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017A83586310, 992 bytes long.
 Data: <PbX&#131;z    &#248;W&#131;z   > 50 62 58 83 7A 01 00 00 10 F8 57 83 7A 01 00 00 
{95} normal block at 0x0000017A8357FA50, 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 0x0000017A8357F2A0, 16 bytes long.
 Data: <p&#193;V&#131;z           > 70 C1 56 83 7A 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017A8356C170, 40 bytes long.
 Data: <&#160;&#242;W&#131;z   P&#250;W&#131;z   > A0 F2 57 83 7A 01 00 00 50 FA 57 83 7A 01 00 00 
{72} normal block at 0x0000017A8357ED00, 16 bytes long.
 Data: < &#234;&#134;&#200;&#246;           > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017A8357EC10, 16 bytes long.
 Data: <@&#233;&#134;&#200;&#246;           > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017A8357F1B0, 16 bytes long.
 Data: <&#248;W&#131;&#200;&#246;           > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017A8357F070, 16 bytes long.
 Data: <&#216;W&#131;&#200;&#246;           > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017A8357EA30, 16 bytes long.
 Data: <P &#131;&#200;&#246;           > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017A8357EE40, 16 bytes long.
 Data: <0 &#131;&#200;&#246;           > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017A8357E940, 16 bytes long.
 Data: <&#224; &#131;&#200;&#246;           > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017A8357F3E0, 16 bytes long.
 Data: <  &#131;&#200;&#246;           > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017A8357EF80, 16 bytes long.
 Data: <p &#131;&#200;&#246;           > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017A8357F390, 16 bytes long.
 Data: < &#192; &#200;&#246;           > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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