Task 38655234

Name test_431-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND7246_1
Workunit 31598729
Created 24 Oct 2026, 8:39:18 UTC
Sent 24 Oct 2026, 8:39:32 UTC
Report deadline 29 Oct 2026, 8:39:32 UTC
Received 24 Oct 2026, 10:17:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 25 min 57 sec
CPU time 22 min 1 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 805.51 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>
12:52:01 (17660): wrapper (7.9.26016): starting
12:52:01 (17660): 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
12:52:02 (17660): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:52:02 (17660): 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
13:17:11 (17660): C:/Windows/system32/cmd.exe exited; CPU time 1321.703125
13:17:11 (17660): 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: 30880143 bytes.
Dumping objects ->
{3835491} normal block at 0x0000025F8B1BD500, 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 0x0000025F8B1BD880, 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 0x0000025F8B1BCD20, 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 0x0000025F89465400, 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 0x0000025F89465390, 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 0x0000025F8B208840, 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 0x0000025F8945DDA0, 8 bytes long.
 Data: <  A&#137;_   > 00 00 41 89 5F 02 00 00 
{3833963} normal block at 0x0000025F8945D5D0, 8 bytes long.
 Data: < GF&#137;_   > 10 47 46 89 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025F894615B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025F89456BC0, 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 0x0000025F89465FC0, 16 bytes long.
 Data: <hlF&#137;_           > 68 6C 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025F89466830, 16 bytes long.
 Data: <@lF&#137;_           > 40 6C 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025F8945FF40, 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 0x0000025F89465BB0, 16 bytes long.
 Data: < lF&#137;_           > 18 6C 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025F89466420, 16 bytes long.
 Data: <&#240;kF&#137;_           > F0 6B 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025F894667E0, 16 bytes long.
 Data: <&#200;kF&#137;_           > C8 6B 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025F89465CA0, 16 bytes long.
 Data: <&#160;kF&#137;_           > A0 6B 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025F89464F30, 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 0x0000025F89465E30, 16 bytes long.
 Data: < &#245;D&#137;_           > 98 F5 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025F8945F940, 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 0x0000025F89466600, 16 bytes long.
 Data: <p&#245;D&#137;_           > 70 F5 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025F894660B0, 16 bytes long.
 Data: <H&#245;D&#137;_           > 48 F5 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025F89466060, 16 bytes long.
 Data: < &#245;D&#137;_           > 20 F5 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F89465D90, 16 bytes long.
 Data: <&#248;&#244;D&#137;_           > F8 F4 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F894659D0, 16 bytes long.
 Data: <&#208;&#244;D&#137;_           > D0 F4 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025F89465AC0, 16 bytes long.
 Data: <&#168;&#244;D&#137;_           > A8 F4 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025F89460120, 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 0x0000025F89466790, 16 bytes long.
 Data: < &#244;D&#137;_           > 80 F4 44 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025F8944F480, 320 bytes long.
 Data: < gF&#137;_     F&#137;_   > 90 67 46 89 5F 02 00 00 20 01 46 89 5F 02 00 00 
{277} normal block at 0x0000025F89466510, 16 bytes long.
 Data: < kF&#137;_           > 80 6B 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F894663D0, 16 bytes long.
 Data: <XkF&#137;_           > 58 6B 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025F8945F700, 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 0x0000025F89466740, 16 bytes long.
 Data: <0kF&#137;_           > 30 6B 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025F8945F6A0, 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 0x0000025F89465A70, 16 bytes long.
 Data: <xjF&#137;_           > 78 6A 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025F89465ED0, 16 bytes long.
 Data: <PjF&#137;_           > 50 6A 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025F894664C0, 16 bytes long.
 Data: <(jF&#137;_           > 28 6A 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F894665B0, 16 bytes long.
 Data: < jF&#137;_           > 00 6A 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F89465A20, 16 bytes long.
 Data: <&#216;iF&#137;_           > D8 69 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025F894666F0, 16 bytes long.
 Data: <&#176;iF&#137;_           > B0 69 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F89465B60, 16 bytes long.
 Data: <&#240;PF&#137;_           > F0 50 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025F894650F0, 40 bytes long.
 Data: <`[F&#137;_   @  &#139;_   > 60 5B 46 89 5F 02 00 00 40 88 20 8B 5F 02 00 00 
{263} normal block at 0x0000025F89465C50, 16 bytes long.
 Data: < iF&#137;_           > 90 69 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F89466330, 16 bytes long.
 Data: <hiF&#137;_           > 68 69 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025F8945F400, 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 0x0000025F89466380, 16 bytes long.
 Data: <@iF&#137;_           > 40 69 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025F89466940, 992 bytes long.
 Data: < cF&#137;_    &#244;E&#137;_   > 80 63 46 89 5F 02 00 00 00 F4 45 89 5F 02 00 00 
{95} normal block at 0x0000025F8945F340, 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 0x0000025F8945DB70, 16 bytes long.
 Data: <`QF&#137;_           > 60 51 46 89 5F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000025F89465160, 40 bytes long.
 Data: <p&#219;E&#137;_   @&#243;E&#137;_   > 70 DB 45 89 5F 02 00 00 40 F3 45 89 5F 02 00 00 
{72} normal block at 0x0000025F8945E340, 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 0x0000025F8945E070, 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 0x0000025F8945DB20, 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 0x0000025F8945E0C0, 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 0x0000025F8945DFD0, 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 0x0000025F8945DAD0, 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 0x0000025F8945E2F0, 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 0x0000025F8945DF80, 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 0x0000025F8945E390, 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 0x0000025F8945DA80, 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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