Task 38698180

Name test_469-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7570_0
Workunit 31638712
Created 2 Nov 2026, 5:17:16 UTC
Sent 2 Nov 2026, 5:17:27 UTC
Report deadline 7 Nov 2026, 5:17:27 UTC
Received 2 Nov 2026, 7:10:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604157
Run time 1 hours 48 min 45 sec
CPU time 1 hours 47 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,862.13 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.45 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:21:13 (22748): wrapper (7.9.26016): starting
23:21:13 (22748): 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
23:21:14 (22748): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:21:14 (22748): 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\6\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\6\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
01:09:59 (22748): C:/Windows/system32/cmd.exe exited; CPU time 6460.140625
01:09:59 (22748): 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: 94710717 bytes.
Dumping objects ->
{3835210} normal block at 0x000002AE63DA61F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000002AE63DA6260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x000002AE63DA6880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835177} normal block at 0x000002AE63DA5EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x000002AE620E33E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835135} normal block at 0x000002AE63E1FA30, 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) : {3835122} normal block at 0x000002AE620DF840, 8 bytes long.
 Data: <  cb&#174;   > 00 00 63 62 AE 02 00 00 
{3833963} normal block at 0x000002AE620DEFD0, 8 bytes long.
 Data: < &#230;&#208;c&#174;   > 80 E6 D0 63 AE 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002AE620DCA80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002AE620D60E0, 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 0x000002AE620EA480, 16 bytes long.
 Data: <x&#177; b&#174;           > 78 B1 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AE620EA2A0, 16 bytes long.
 Data: <P&#177; b&#174;           > 50 B1 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AE620E4BE0, 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 0x000002AE620EA250, 16 bytes long.
 Data: <(&#177; b&#174;           > 28 B1 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AE620EAC50, 16 bytes long.
 Data: < &#177; b&#174;           > 00 B1 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AE620EA610, 16 bytes long.
 Data: <&#216;&#176; b&#174;           > D8 B0 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AE620EAC00, 16 bytes long.
 Data: <&#176;&#176; b&#174;           > B0 B0 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AE620E3450, 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 0x000002AE620EABB0, 16 bytes long.
 Data: <&#232;D b&#174;           > E8 44 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AE620E4B80, 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 0x000002AE620EAB60, 16 bytes long.
 Data: <&#192;D b&#174;           > C0 44 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AE620EA200, 16 bytes long.
 Data: < D b&#174;           > 98 44 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AE620EA1B0, 16 bytes long.
 Data: <pD b&#174;           > 70 44 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AE620EA020, 16 bytes long.
 Data: <HD b&#174;           > 48 44 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AE620E9F80, 16 bytes long.
 Data: < D b&#174;           > 20 44 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AE620EA5C0, 16 bytes long.
 Data: <&#248;C b&#174;           > F8 43 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AE620E5060, 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 0x000002AE620EA570, 16 bytes long.
 Data: <&#208;C b&#174;           > D0 43 0D 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AE620D43D0, 320 bytes long.
 Data: <p&#165; b&#174;   `P b&#174;   > 70 A5 0E 62 AE 02 00 00 60 50 0E 62 AE 02 00 00 
{277} normal block at 0x000002AE620EAB10, 16 bytes long.
 Data: < &#176; b&#174;           > 90 B0 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AE620EA0C0, 16 bytes long.
 Data: <h&#176; b&#174;           > 68 B0 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AE620E4E80, 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 0x000002AE620EA980, 16 bytes long.
 Data: <@&#176; b&#174;           > 40 B0 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AE620E4580, 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 0x000002AE620E9EE0, 16 bytes long.
 Data: < &#175; b&#174;           > 88 AF 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AE620EAAC0, 16 bytes long.
 Data: <`&#175; b&#174;           > 60 AF 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AE620E9E90, 16 bytes long.
 Data: <8&#175; b&#174;           > 38 AF 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AE620EA8E0, 16 bytes long.
 Data: < &#175; b&#174;           > 10 AF 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AE620EA340, 16 bytes long.
 Data: <&#232;&#174; b&#174;           > E8 AE 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AE620EA160, 16 bytes long.
 Data: <&#192;&#174; b&#174;           > C0 AE 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AE620EA890, 16 bytes long.
 Data: < / b&#174;           > 10 2F 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AE620E2F10, 40 bytes long.
 Data: < &#168; b&#174;   0&#250;&#225;c&#174;   > 90 A8 0E 62 AE 02 00 00 30 FA E1 63 AE 02 00 00 
{263} normal block at 0x000002AE620EA4D0, 16 bytes long.
 Data: <&#160;&#174; b&#174;           > A0 AE 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AE620EA110, 16 bytes long.
 Data: <x&#174; b&#174;           > 78 AE 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AE620E4E20, 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 0x000002AE620EAA70, 16 bytes long.
 Data: <P&#174; b&#174;           > 50 AE 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AE620EAE50, 992 bytes long.
 Data: <p&#170; b&#174;    N b&#174;   > 70 AA 0E 62 AE 02 00 00 20 4E 0E 62 AE 02 00 00 
{95} normal block at 0x000002AE620E4A00, 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 0x000002AE620DEE40, 16 bytes long.
 Data: < / b&#174;           > 80 2F 0E 62 AE 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002AE620E2F80, 40 bytes long.
 Data: <@&#238; b&#174;    J b&#174;   > 40 EE 0D 62 AE 02 00 00 00 4A 0E 62 AE 02 00 00 
{72} normal block at 0x000002AE620DFB60, 16 bytes long.
 Data: < &#234;&#211;&#242;&#246;           > 80 EA D3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002AE620DF8E0, 16 bytes long.
 Data: <@&#233;&#211;&#242;&#246;           > 40 E9 D3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AE620DF700, 16 bytes long.
 Data: <&#248;W&#208;&#242;&#246;           > F8 57 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AE620DFAC0, 16 bytes long.
 Data: <&#216;W&#208;&#242;&#246;           > D8 57 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AE620DF9D0, 16 bytes long.
 Data: <P &#208;&#242;&#246;           > 50 04 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AE620DFB10, 16 bytes long.
 Data: <0 &#208;&#242;&#246;           > 30 04 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AE620DF980, 16 bytes long.
 Data: <&#224; &#208;&#242;&#246;           > E0 02 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AE620DF160, 16 bytes long.
 Data: <  &#208;&#242;&#246;           > 10 04 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AE620DEF80, 16 bytes long.
 Data: <p &#208;&#242;&#246;           > 70 04 D0 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AE620DEF30, 16 bytes long.
 Data: < &#192;&#206;&#242;&#246;           > 18 C0 CE F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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