Task 38675009

Name test_316-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1032_1
Workunit 31616963
Created 26 Oct 2026, 6:59:10 UTC
Sent 26 Oct 2026, 6:59:13 UTC
Report deadline 31 Oct 2026, 6:59:13 UTC
Received 26 Oct 2026, 7:21:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629402
Run time 21 min 23 sec
CPU time 19 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,621.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.66 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:00:05 (58464): wrapper (7.9.26016): starting
02:00:05 (58464): 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
02:00:07 (58464): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:00:07 (58464): 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\26\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\26\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
02:20:42 (58464): C:/Windows/system32/cmd.exe exited; CPU time 1192.046875
02:20:42 (58464): 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: 22410975 bytes.
Dumping objects ->
{3835311} normal block at 0x000001AFEC66D650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001AFEC66D110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001AFEC66CE70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001AFEAA04A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001AFEAA04A20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001AFEC6B6350, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001AFEC6CE420, 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) : {3835222} normal block at 0x000001AFEAA00E30, 8 bytes long.
 Data: <  &#246;&#234;&#175;   > 00 00 F6 EA AF 01 00 00 
{3834575} normal block at 0x000001AFEC6CE630, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001AFEAA00DE0, 8 bytes long.
 Data: <PBq&#236;&#175;   > 50 42 71 EC AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AFEA9F68A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AFEA9F71A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001AFEAA05D80, 16 bytes long.
 Data: <&#248;U&#160;&#234;&#175;           > F8 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AFEAA05880, 16 bytes long.
 Data: <&#208;U&#160;&#234;&#175;           > D0 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AFEAA00200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001AFEAA058D0, 16 bytes long.
 Data: <&#168;U&#160;&#234;&#175;           > A8 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AFEAA06690, 16 bytes long.
 Data: < U&#160;&#234;&#175;           > 80 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AFEAA05790, 16 bytes long.
 Data: <XU&#160;&#234;&#175;           > 58 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AFEAA060F0, 16 bytes long.
 Data: <0U&#160;&#234;&#175;           > 30 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AFEAA04780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001AFEAA05D30, 16 bytes long.
 Data: <&#248;&#184;&#158;&#234;&#175;           > F8 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AFEAA004A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001AFEAA05F60, 16 bytes long.
 Data: <&#208;&#184;&#158;&#234;&#175;           > D0 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AFEAA065A0, 16 bytes long.
 Data: <&#168;&#184;&#158;&#234;&#175;           > A8 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AFEAA06370, 16 bytes long.
 Data: < &#184;&#158;&#234;&#175;           > 80 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AFEAA06230, 16 bytes long.
 Data: <X&#184;&#158;&#234;&#175;           > 58 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AFEAA057E0, 16 bytes long.
 Data: <0&#184;&#158;&#234;&#175;           > 30 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AFEAA05BF0, 16 bytes long.
 Data: < &#184;&#158;&#234;&#175;           > 08 B8 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AFEAA001A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001AFEAA05740, 16 bytes long.
 Data: <&#224;&#183;&#158;&#234;&#175;           > E0 B7 9E EA AF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AFEA9EB7E0, 320 bytes long.
 Data: <@W&#160;&#234;&#175;   &#160; &#160;&#234;&#175;   > 40 57 A0 EA AF 01 00 00 A0 01 A0 EA AF 01 00 00 
{276} normal block at 0x000001AFEAA059C0, 16 bytes long.
 Data: < U&#160;&#234;&#175;           > 10 55 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AFEAA05E20, 16 bytes long.
 Data: <&#232;T&#160;&#234;&#175;           > E8 54 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AFEAA006E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001AFEAA06320, 16 bytes long.
 Data: <&#192;T&#160;&#234;&#175;           > C0 54 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AFEA9FFD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001AFEAA06640, 16 bytes long.
 Data: < T&#160;&#234;&#175;           > 08 54 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AFEAA05C40, 16 bytes long.
 Data: <&#224;S&#160;&#234;&#175;           > E0 53 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AFEAA05C90, 16 bytes long.
 Data: <&#184;S&#160;&#234;&#175;           > B8 53 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AFEAA05970, 16 bytes long.
 Data: < S&#160;&#234;&#175;           > 90 53 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AFEAA05830, 16 bytes long.
 Data: <hS&#160;&#234;&#175;           > 68 53 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AFEAA00C00, 16 bytes long.
 Data: <@S&#160;&#234;&#175;           > 40 53 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AFEAA00A20, 16 bytes long.
 Data: <pK&#160;&#234;&#175;           > 70 4B A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AFEAA04B70, 40 bytes long.
 Data: <  &#160;&#234;&#175;   Pck&#236;&#175;   > 20 0A A0 EA AF 01 00 00 50 63 6B EC AF 01 00 00 
{262} normal block at 0x000001AFEAA009D0, 16 bytes long.
 Data: < S&#160;&#234;&#175;           > 20 53 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AFEAA008E0, 16 bytes long.
 Data: <&#248;R&#160;&#234;&#175;           > F8 52 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AFEAA00140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001AFEAA00B60, 16 bytes long.
 Data: <&#208;R&#160;&#234;&#175;           > D0 52 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AFEAA052D0, 992 bytes long.
 Data: <` &#160;&#234;&#175;   @ &#160;&#234;&#175;   > 60 0B A0 EA AF 01 00 00 40 01 A0 EA AF 01 00 00 
{94} normal block at 0x000001AFEA9FF840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001AFEAA01150, 16 bytes long.
 Data: < G&#160;&#234;&#175;           > 10 47 A0 EA AF 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AFEAA04710, 40 bytes long.
 Data: <P &#160;&#234;&#175;   @&#248;&#159;&#234;&#175;   > 50 11 A0 EA AF 01 00 00 40 F8 9F EA AF 01 00 00 
{71} normal block at 0x000001AFEAA00D40, 16 bytes long.
 Data: < &#234;A@&#247;           > 80 EA 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AFEAA013D0, 16 bytes long.
 Data: <@&#233;A@&#247;           > 40 E9 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AFEAA00ED0, 16 bytes long.
 Data: <&#248;W>@&#247;           > F8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AFEAA00E80, 16 bytes long.
 Data: <&#216;W>@&#247;           > D8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AFEAA00F20, 16 bytes long.
 Data: <P >@&#247;           > 50 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AFEAA00FC0, 16 bytes long.
 Data: <0 >@&#247;           > 30 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AFEAA01380, 16 bytes long.
 Data: <&#224; >@&#247;           > E0 02 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AFEAA00CA0, 16 bytes long.
 Data: <  >@&#247;           > 10 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AFEAA01330, 16 bytes long.
 Data: <p >@&#247;           > 70 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AFEAA010B0, 16 bytes long.
 Data: < &#192;<@&#247;           > 18 C0 3C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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