Task 38670334

Name test_816-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6974_0
Workunit 31612589
Created 25 Oct 2026, 17:12:07 UTC
Sent 25 Oct 2026, 17:12:12 UTC
Report deadline 30 Oct 2026, 17:12:12 UTC
Received 25 Oct 2026, 18:43:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 23 min 51 sec
CPU time 22 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 804.34 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:20:09 (30380): wrapper (7.9.26016): starting
20:20:09 (30380): 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
20:20:10 (30380): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:20:10 (30380): 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\0\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\0\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
20:42:58 (30380): C:/Windows/system32/cmd.exe exited; CPU time 1329.828125
20:42:58 (30380): 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: 39652319 bytes.
Dumping objects ->
{3835491} normal block at 0x0000018AE324E110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000018AE324DD20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000018AE324E500, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000018AE1534DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000018AE1534D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000018AE32951B0, 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) : {3835403} normal block at 0x0000018AE152D6A0, 8 bytes long.
 Data: <  &#156;&#225;&#138;   > 00 00 9C E1 8A 01 00 00 
{3833963} normal block at 0x0000018AE152DB50, 8 bytes long.
 Data: <&#208;FS&#225;&#138;   > D0 46 53 E1 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018AE15317C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018AE1526640, 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 0x0000018AE1536220, 16 bytes long.
 Data: <&#248;kS&#225;&#138;           > F8 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018AE15363B0, 16 bytes long.
 Data: <&#208;kS&#225;&#138;           > D0 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018AE152FB10, 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 0x0000018AE15362C0, 16 bytes long.
 Data: <&#168;kS&#225;&#138;           > A8 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018AE1536130, 16 bytes long.
 Data: < kS&#225;&#138;           > 80 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018AE1535A00, 16 bytes long.
 Data: <XkS&#225;&#138;           > 58 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018AE1535AF0, 16 bytes long.
 Data: <0kS&#225;&#138;           > 30 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018AE1535010, 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 0x0000018AE1535AA0, 16 bytes long.
 Data: < &#244;Q&#225;&#138;           > 18 F4 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018AE152FD50, 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 0x0000018AE1536590, 16 bytes long.
 Data: <&#240;&#243;Q&#225;&#138;           > F0 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018AE15359B0, 16 bytes long.
 Data: <&#200;&#243;Q&#225;&#138;           > C8 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018AE1535960, 16 bytes long.
 Data: <&#160;&#243;Q&#225;&#138;           > A0 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018AE1536450, 16 bytes long.
 Data: <x&#243;Q&#225;&#138;           > 78 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018AE15360E0, 16 bytes long.
 Data: <P&#243;Q&#225;&#138;           > 50 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018AE1535910, 16 bytes long.
 Data: <(&#243;Q&#225;&#138;           > 28 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018AE152F870, 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 0x0000018AE1535C80, 16 bytes long.
 Data: < &#243;Q&#225;&#138;           > 00 F3 51 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018AE151F300, 320 bytes long.
 Data: < \S&#225;&#138;   p&#248;R&#225;&#138;   > 80 5C 53 E1 8A 01 00 00 70 F8 52 E1 8A 01 00 00 
{277} normal block at 0x0000018AE1535F00, 16 bytes long.
 Data: < kS&#225;&#138;           > 10 6B 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018AE1536810, 16 bytes long.
 Data: <&#232;jS&#225;&#138;           > E8 6A 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018AE152F630, 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 0x0000018AE1536860, 16 bytes long.
 Data: <&#192;jS&#225;&#138;           > C0 6A 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018AE152FAB0, 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 0x0000018AE1536770, 16 bytes long.
 Data: < jS&#225;&#138;           > 08 6A 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018AE1536090, 16 bytes long.
 Data: <&#224;iS&#225;&#138;           > E0 69 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018AE1536360, 16 bytes long.
 Data: <&#184;iS&#225;&#138;           > B8 69 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018AE1535B90, 16 bytes long.
 Data: < iS&#225;&#138;           > 90 69 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018AE1535EB0, 16 bytes long.
 Data: <hiS&#225;&#138;           > 68 69 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018AE1536040, 16 bytes long.
 Data: <@iS&#225;&#138;           > 40 69 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018AE15361D0, 16 bytes long.
 Data: <`QS&#225;&#138;           > 60 51 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018AE1535160, 40 bytes long.
 Data: <&#208;aS&#225;&#138;   &#176;Q)&#227;&#138;   > D0 61 53 E1 8A 01 00 00 B0 51 29 E3 8A 01 00 00 
{263} normal block at 0x0000018AE1535FF0, 16 bytes long.
 Data: < iS&#225;&#138;           > 20 69 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018AE1536720, 16 bytes long.
 Data: <&#248;hS&#225;&#138;           > F8 68 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018AE152F330, 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 0x0000018AE1535FA0, 16 bytes long.
 Data: <&#208;hS&#225;&#138;           > D0 68 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018AE15368D0, 992 bytes long.
 Data: <&#160;_S&#225;&#138;   0&#243;R&#225;&#138;   > A0 5F 53 E1 8A 01 00 00 30 F3 52 E1 8A 01 00 00 
{95} normal block at 0x0000018AE152F5D0, 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 0x0000018AE152E0F0, 16 bytes long.
 Data: <&#240;PS&#225;&#138;           > F0 50 53 E1 8A 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000018AE15350F0, 40 bytes long.
 Data: <&#240;&#224;R&#225;&#138;   &#208;&#245;R&#225;&#138;   > F0 E0 52 E1 8A 01 00 00 D0 F5 52 E1 8A 01 00 00 
{72} normal block at 0x0000018AE152DD80, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018AE152DF60, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018AE152D650, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018AE152E230, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018AE152D6F0, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018AE152DDD0, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018AE152DAB0, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018AE152DBF0, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018AE152DA60, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018AE152D7E0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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