Task 38688388

Name test_468-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0109_0
Workunit 31629741
Created 28 Oct 2026, 13:34:47 UTC
Sent 28 Oct 2026, 13:34:53 UTC
Report deadline 2 Nov 2026, 13:34:53 UTC
Received 28 Oct 2026, 14:08:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 16 min 50 sec
CPU time 15 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.42 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:51:51 (2480): wrapper (7.9.26016): starting
14:51:51 (2480): 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
14:51:52 (2480): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:51:52 (2480): 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\23\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\23\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
15:08:06 (2480): C:/Windows/system32/cmd.exe exited; CPU time 953.156250
15:08:06 (2480): 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: 23507157 bytes.
Dumping objects ->
{3835552} normal block at 0x000001D0FB46D2A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835541} normal block at 0x000001D0FB46C970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x000001D0F9784E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835519} normal block at 0x000001D0F9784DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001D0F9784CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835477} normal block at 0x000001D0FB4B7980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000001D0FB4CEB20, 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) : {3835463} normal block at 0x000001D0F977F320, 8 bytes long.
 Data: <  &#184;&#249;&#208;   > 00 00 B8 F9 D0 01 00 00 
{3834688} normal block at 0x000001D0FB4CE4F0, 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 0x000001D0F977F640, 8 bytes long.
 Data: <&#208;MQ&#251;&#208;   > D0 4D 51 FB D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D0F9780B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D0F9775F70, 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 0x000001D0F97855B0, 16 bytes long.
 Data: <&#248;gx&#249;&#208;           > F8 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D0F9785CE0, 16 bytes long.
 Data: <&#208;gx&#249;&#208;           > D0 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D0F97803F0, 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 0x000001D0F9785600, 16 bytes long.
 Data: <&#168;gx&#249;&#208;           > A8 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0F97857E0, 16 bytes long.
 Data: < gx&#249;&#208;           > 80 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D0F9786320, 16 bytes long.
 Data: <Xgx&#249;&#208;           > 58 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D0F9785FB0, 16 bytes long.
 Data: <0gx&#249;&#208;           > 30 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0F9784F20, 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 0x000001D0F9785A10, 16 bytes long.
 Data: <&#184;&#235;v&#249;&#208;           > B8 EB 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D0F977FA90, 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 0x000001D0F97856A0, 16 bytes long.
 Data: < &#235;v&#249;&#208;           > 90 EB 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D0F9786280, 16 bytes long.
 Data: <h&#235;v&#249;&#208;           > 68 EB 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D0F9786230, 16 bytes long.
 Data: <@&#235;v&#249;&#208;           > 40 EB 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D0F9785790, 16 bytes long.
 Data: < &#235;v&#249;&#208;           > 18 EB 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0F9785B00, 16 bytes long.
 Data: <&#240;&#234;v&#249;&#208;           > F0 EA 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D0F9785AB0, 16 bytes long.
 Data: <&#200;&#234;v&#249;&#208;           > C8 EA 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0F977FC10, 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 0x000001D0F9785D80, 16 bytes long.
 Data: <&#160;&#234;v&#249;&#208;           > A0 EA 76 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0F976EAA0, 320 bytes long.
 Data: < ]x&#249;&#208;    &#252;w&#249;&#208;   > 80 5D 78 F9 D0 01 00 00 10 FC 77 F9 D0 01 00 00 
{277} normal block at 0x000001D0F97860F0, 16 bytes long.
 Data: < gx&#249;&#208;           > 10 67 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D0F9786410, 16 bytes long.
 Data: <&#232;fx&#249;&#208;           > E8 66 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D0F977FEB0, 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 0x000001D0F9786190, 16 bytes long.
 Data: <&#192;fx&#249;&#208;           > C0 66 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0F97807B0, 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 0x000001D0F9785510, 16 bytes long.
 Data: < fx&#249;&#208;           > 08 66 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D0F9785C90, 16 bytes long.
 Data: <&#224;ex&#249;&#208;           > E0 65 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D0F9786140, 16 bytes long.
 Data: <&#184;ex&#249;&#208;           > B8 65 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D0F97860A0, 16 bytes long.
 Data: < ex&#249;&#208;           > 90 65 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0F9785650, 16 bytes long.
 Data: <hex&#249;&#208;           > 68 65 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0F97861E0, 16 bytes long.
 Data: <@ex&#249;&#208;           > 40 65 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D0F97862D0, 16 bytes long.
 Data: <&#176;Nx&#249;&#208;           > B0 4E 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D0F9784EB0, 40 bytes long.
 Data: <&#208;bx&#249;&#208;    yK&#251;&#208;   > D0 62 78 F9 D0 01 00 00 80 79 4B FB D0 01 00 00 
{263} normal block at 0x000001D0F9785BF0, 16 bytes long.
 Data: < ex&#249;&#208;           > 20 65 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0F9785EC0, 16 bytes long.
 Data: <&#248;dx&#249;&#208;           > F8 64 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D0F977FD30, 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 0x000001D0F9786370, 16 bytes long.
 Data: <&#208;dx&#249;&#208;           > D0 64 78 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0F97864D0, 992 bytes long.
 Data: <pcx&#249;&#208;   0&#253;w&#249;&#208;   > 70 63 78 F9 D0 01 00 00 30 FD 77 F9 D0 01 00 00 
{95} normal block at 0x000001D0F977FFD0, 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 0x000001D0F977E9C0, 16 bytes long.
 Data: <  w&#249;&#208;           > 90 9D 77 F9 D0 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D0F9779D90, 40 bytes long.
 Data: <&#192;&#233;w&#249;&#208;   &#208;&#255;w&#249;&#208;   > C0 E9 77 F9 D0 01 00 00 D0 FF 77 F9 D0 01 00 00 
{72} normal block at 0x000001D0F977F730, 16 bytes long.
 Data: < &#234;&#161;&#241;&#247;           > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D0F977F500, 16 bytes long.
 Data: <@&#233;&#161;&#241;&#247;           > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D0F977EA60, 16 bytes long.
 Data: <&#248;W&#158;&#241;&#247;           > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D0F977EFB0, 16 bytes long.
 Data: <&#216;W&#158;&#241;&#247;           > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D0F977F6E0, 16 bytes long.
 Data: <P &#158;&#241;&#247;           > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D0F977F370, 16 bytes long.
 Data: <0 &#158;&#241;&#247;           > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D0F977F4B0, 16 bytes long.
 Data: <&#224; &#158;&#241;&#247;           > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D0F977F410, 16 bytes long.
 Data: <  &#158;&#241;&#247;           > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D0F977EF60, 16 bytes long.
 Data: <p &#158;&#241;&#247;           > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D0F977ED30, 16 bytes long.
 Data: < &#192;&#156;&#241;&#247;           > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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