Task 38665484

Name test_159-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND0686_0
Workunit 31608578
Created 25 Oct 2026, 1:07:25 UTC
Sent 25 Oct 2026, 1:13:33 UTC
Report deadline 30 Oct 2026, 1:13:33 UTC
Received 25 Oct 2026, 2:13:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 58 min 53 sec
CPU time 58 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.43 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
02:19:17 (12300): wrapper (7.9.26016): starting
02:19:17 (12300): 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
02:19:19 (12300): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:19:19 (12300): 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\170\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\170\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
03:13:22 (12300): C:/Windows/system32/cmd.exe exited; CPU time 3533.343750
03:13:22 (12300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 88475151 bytes.
Dumping objects ->
{3835226} normal block at 0x000001C37718C430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001C37718BFD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001C37718BCC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000001C37718C190, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001C37718BF60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000001C378EE85C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000001C3771C0E30, 140 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) : {3835137} normal block at 0x000001C377168E50, 8 bytes long.
 Data: <   w&#195;   > 00 00 12 77 C3 01 00 00 
{3834534} normal block at 0x000001C3771C0AF0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001C377168D10, 8 bytes long.
 Data: < }&#247;x&#195;   > 20 7D F7 78 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C3771674D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C377157870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001C377168F40, 16 bytes long.
 Data: < &#137; w&#195;           > 98 89 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C377164AD0, 16 bytes long.
 Data: <p&#137; w&#195;           > 70 89 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C37715B680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001C377164A80, 16 bytes long.
 Data: <H&#137; w&#195;           > 48 89 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3771649E0, 16 bytes long.
 Data: < &#137; w&#195;           > 20 89 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C377164990, 16 bytes long.
 Data: <&#248;  w&#195;           > F8 88 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C377164940, 16 bytes long.
 Data: <&#208;  w&#195;           > D0 88 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C377162EF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001C377164850, 16 bytes long.
 Data: < &#208; w&#195;           > 98 D0 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C37715BFE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001C377165070, 16 bytes long.
 Data: <p&#208; w&#195;           > 70 D0 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C377164F80, 16 bytes long.
 Data: <H&#208; w&#195;           > 48 D0 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C377164800, 16 bytes long.
 Data: < &#208; w&#195;           > 20 D0 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C377165160, 16 bytes long.
 Data: <&#248;&#207; w&#195;           > F8 CF 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C377165480, 16 bytes long.
 Data: <&#208;&#207; w&#195;           > D0 CF 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C377164DA0, 16 bytes long.
 Data: <&#168;&#207; w&#195;           > A8 CF 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C37715BA40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001C377165430, 16 bytes long.
 Data: < &#207; w&#195;           > 80 CF 14 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C37714CF80, 320 bytes long.
 Data: <0T w&#195;   @&#186; w&#195;   > 30 54 16 77 C3 01 00 00 40 BA 15 77 C3 01 00 00 
{270} normal block at 0x000001C3771652A0, 16 bytes long.
 Data: <&#176;  w&#195;           > B0 88 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C377164D00, 16 bytes long.
 Data: <   w&#195;           > 88 88 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C37715B860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001C377164C60, 16 bytes long.
 Data: <`  w&#195;           > 60 88 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C37715B9E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001C377165340, 16 bytes long.
 Data: <&#168;&#135; w&#195;           > A8 87 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C377164F30, 16 bytes long.
 Data: < &#135; w&#195;           > 80 87 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3771647B0, 16 bytes long.
 Data: <X&#135; w&#195;           > 58 87 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C3771652F0, 16 bytes long.
 Data: <0&#135; w&#195;           > 30 87 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C377164EE0, 16 bytes long.
 Data: < &#135; w&#195;           > 08 87 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C377164CB0, 16 bytes long.
 Data: <&#224;&#134; w&#195;           > E0 86 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C377164B70, 16 bytes long.
 Data: <`/ w&#195;           > 60 2F 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C377162F60, 40 bytes long.
 Data: <pK w&#195;   &#192;&#133;&#238;x&#195;   > 70 4B 16 77 C3 01 00 00 C0 85 EE 78 C3 01 00 00 
{256} normal block at 0x000001C377164760, 16 bytes long.
 Data: <&#192;&#134; w&#195;           > C0 86 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C377165200, 16 bytes long.
 Data: < &#134; w&#195;           > 98 86 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C37715BB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001C3771656B0, 16 bytes long.
 Data: <p&#134; w&#195;           > 70 86 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C377168670, 992 bytes long.
 Data: <&#176;V w&#195;   `&#187; w&#195;   > B0 56 16 77 C3 01 00 00 60 BB 15 77 C3 01 00 00 
{88} normal block at 0x000001C37715B7A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001C377165520, 16 bytes long.
 Data: < * w&#195;           > 90 2A 16 77 C3 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C377162A90, 40 bytes long.
 Data: < U w&#195;   &#160;&#183; w&#195;   > 20 55 16 77 C3 01 00 00 A0 B7 15 77 C3 01 00 00 
{65} normal block at 0x000001C377164DF0, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C377164D50, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C37715A1F0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C37715A1A0, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C37715A150, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C3771597F0, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C377159E80, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C3771597A0, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C377159D90, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C37715A060, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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