Task 38683035

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3323_0
Workunit 31624620
Created 27 Oct 2026, 10:10:11 UTC
Sent 27 Oct 2026, 10:10:15 UTC
Report deadline 1 Nov 2026, 10:10:15 UTC
Received 27 Oct 2026, 13:32:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650214
Run time 1 hours 2 min 20 sec
CPU time 1 hours 2 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.80 MB
Peak swap size 11.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:26:02 (11096): wrapper (7.9.26016): starting
13:26:02 (11096): 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
13:26:04 (11096): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:26:04 (11096): 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\29\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\29\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
14:31:25 (11096): C:/Windows/system32/cmd.exe exited; CPU time 3740.046875
14:31:25 (11096): 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: 58634207 bytes.
Dumping objects ->
{3835271} normal block at 0x0000022FA60872E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000022FA6086BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000022FA6086E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000022FA6086B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000022FA6087430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000022FA602BC10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000022FA608D910, 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) : {3835182} normal block at 0x0000022FA4466A80, 8 bytes long.
 Data: <  =&#164;/   > 00 00 3D A4 2F 02 00 00 
{3834555} normal block at 0x0000022FA608D180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000022FA4466F80, 8 bytes long.
 Data: < x &#166;/   > 00 78 11 A6 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022FA44711A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022FA445AE10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000022FA4472320, 16 bytes long.
 Data: < 6G&#164;/           > 98 36 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022FA44729B0, 16 bytes long.
 Data: <p6G&#164;/           > 70 36 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022FA446D2B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000022FA4472960, 16 bytes long.
 Data: <H6G&#164;/           > 48 36 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022FA4472910, 16 bytes long.
 Data: < 6G&#164;/           > 20 36 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022FA4472280, 16 bytes long.
 Data: <&#248;5G&#164;/           > F8 35 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022FA4472140, 16 bytes long.
 Data: <&#208;5G&#164;/           > D0 35 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022FA446B690, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000022FA4472B90, 16 bytes long.
 Data: <&#200;&#196;F&#164;/           > C8 C4 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022FA446CA10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000022FA4472C80, 16 bytes long.
 Data: <&#160;&#196;F&#164;/           > A0 C4 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022FA4472A00, 16 bytes long.
 Data: <x&#196;F&#164;/           > 78 C4 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022FA4472F00, 16 bytes long.
 Data: <P&#196;F&#164;/           > 50 C4 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022FA4472C30, 16 bytes long.
 Data: <(&#196;F&#164;/           > 28 C4 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022FA44727D0, 16 bytes long.
 Data: < &#196;F&#164;/           > 00 C4 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022FA44728C0, 16 bytes long.
 Data: <&#216;&#195;F&#164;/           > D8 C3 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022FA446CBF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000022FA4472730, 16 bytes long.
 Data: <&#176;&#195;F&#164;/           > B0 C3 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022FA446C3B0, 320 bytes long.
 Data: <0'G&#164;/   &#240;&#203;F&#164;/   > 30 27 47 A4 2F 02 00 00 F0 CB 46 A4 2F 02 00 00 
{269} normal block at 0x0000022FA4472E10, 16 bytes long.
 Data: <&#176;5G&#164;/           > B0 35 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022FA44726E0, 16 bytes long.
 Data: < 5G&#164;/           > 88 35 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022FA446D010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000022FA4472690, 16 bytes long.
 Data: <`5G&#164;/           > 60 35 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022FA446D0D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000022FA4472000, 16 bytes long.
 Data: <&#168;4G&#164;/           > A8 34 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022FA44720F0, 16 bytes long.
 Data: < 4G&#164;/           > 80 34 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022FA4472550, 16 bytes long.
 Data: <X4G&#164;/           > 58 34 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022FA4472500, 16 bytes long.
 Data: <04G&#164;/           > 30 34 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022FA4472230, 16 bytes long.
 Data: < 4G&#164;/           > 08 34 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022FA4472BE0, 16 bytes long.
 Data: <&#224;3G&#164;/           > E0 33 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022FA44724B0, 16 bytes long.
 Data: <p&#183;F&#164;/           > 70 B7 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022FA446B770, 40 bytes long.
 Data: <&#176;$G&#164;/    &#188; &#166;/   > B0 24 47 A4 2F 02 00 00 10 BC 02 A6 2F 02 00 00 
{255} normal block at 0x0000022FA4472460, 16 bytes long.
 Data: <&#192;3G&#164;/           > C0 33 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022FA4472D20, 16 bytes long.
 Data: < 3G&#164;/           > 98 33 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022FA446D1F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000022FA44721E0, 16 bytes long.
 Data: <p3G&#164;/           > 70 33 47 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022FA4473370, 992 bytes long.
 Data: <&#224;!G&#164;/   &#240;&#209;F&#164;/   > E0 21 47 A4 2F 02 00 00 F0 D1 46 A4 2F 02 00 00 
{87} normal block at 0x0000022FA446D430, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000022FA4466670, 16 bytes long.
 Data: <@&#181;F&#164;/           > 40 B5 46 A4 2F 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022FA446B540, 40 bytes long.
 Data: <pfF&#164;/   0&#212;F&#164;/   > 70 66 46 A4 2F 02 00 00 30 D4 46 A4 2F 02 00 00 
{64} normal block at 0x0000022FA4467200, 16 bytes long.
 Data: < &#234;&#249;&#249;&#247;           > 80 EA F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022FA44666C0, 16 bytes long.
 Data: <@&#233;&#249;&#249;&#247;           > 40 E9 F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022FA4466DF0, 16 bytes long.
 Data: <&#248;W&#246;&#249;&#247;           > F8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022FA4466DA0, 16 bytes long.
 Data: <&#216;W&#246;&#249;&#247;           > D8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022FA4466440, 16 bytes long.
 Data: <P &#246;&#249;&#247;           > 50 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022FA4466760, 16 bytes long.
 Data: <0 &#246;&#249;&#247;           > 30 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022FA4466AD0, 16 bytes long.
 Data: <&#224; &#246;&#249;&#247;           > E0 02 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022FA4466D50, 16 bytes long.
 Data: <  &#246;&#249;&#247;           > 10 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022FA4466BC0, 16 bytes long.
 Data: <p &#246;&#249;&#247;           > 70 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022FA44669E0, 16 bytes long.
 Data: < &#192;&#244;&#249;&#247;           > 18 C0 F4 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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