Task 38679990

Name test_663-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0372_0
Workunit 31621737
Created 26 Oct 2026, 22:26:56 UTC
Sent 26 Oct 2026, 22:26:57 UTC
Report deadline 31 Oct 2026, 22:26:57 UTC
Received 26 Oct 2026, 22:56:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 12 sec
CPU time 26 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 649.00 MB
Peak swap size 3.76 GB
Peak disk usage 3.98 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:28:12 (13544): wrapper (7.9.26016): starting
23:28:12 (13544): 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
23:28:13 (13544): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:28:13 (13544): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
23:55:23 (13544): C:/Windows/system32/cmd.exe exited; CPU time 1611.296875
23:55:23 (13544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19864201 bytes.
Dumping objects ->
{3835241} normal block at 0x000002213EC71820, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000002213EC710B0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000002213EC70B00, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000002213EC70CC0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000002213EC71270, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000002213ED1C490, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000002213EE34B60, 160 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) : {3835152} normal block at 0x000002213D2F7A60, 8 bytes long.
 Data: <  &=!   > 00 00 26 3D 21 02 00 00 
{3834548} normal block at 0x000002213EE348C0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002213D2F7A10, 8 bytes long.
 Data: < e&#227;>!   > 10 65 E3 3E 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002213D3020C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002213D2E6300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002213D3031F0, 16 bytes long.
 Data: <hC0=!           > 68 43 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002213D3035B0, 16 bytes long.
 Data: <@C0=!           > 40 43 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002213D2FC670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002213D3031A0, 16 bytes long.
 Data: < C0=!           > 18 43 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002213D303D80, 16 bytes long.
 Data: <&#240;B0=!           > F0 42 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002213D303150, 16 bytes long.
 Data: <&#200;B0=!           > C8 42 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002213D303B50, 16 bytes long.
 Data: <&#160;B0=!           > A0 42 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002213D2FE1F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002213D303100, 16 bytes long.
 Data: < b.=!           > 98 62 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002213D2FBAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002213D303B00, 16 bytes long.
 Data: <pb.=!           > 70 62 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002213D3033D0, 16 bytes long.
 Data: <Hb.=!           > 48 62 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002213D303D30, 16 bytes long.
 Data: < b.=!           > 20 62 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002213D303290, 16 bytes long.
 Data: <&#248;a.=!           > F8 61 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002213D303CE0, 16 bytes long.
 Data: <&#208;a.=!           > D0 61 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002213D3032E0, 16 bytes long.
 Data: <&#168;a.=!           > A8 61 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002213D2FC8B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002213D3039C0, 16 bytes long.
 Data: < a.=!           > 80 61 2E 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002213D2E6180, 320 bytes long.
 Data: <&#192;90=!   &#176;&#200;/=!   > C0 39 30 3D 21 02 00 00 B0 C8 2F 3D 21 02 00 00 
{271} normal block at 0x000002213D3030B0, 16 bytes long.
 Data: < B0=!           > 80 42 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002213D303970, 16 bytes long.
 Data: <XB0=!           > 58 42 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002213D2FC4F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002213D303330, 16 bytes long.
 Data: <0B0=!           > 30 42 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002213D2FC490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002213D303510, 16 bytes long.
 Data: <xA0=!           > 78 41 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002213D3038D0, 16 bytes long.
 Data: <PA0=!           > 50 41 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002213D303A60, 16 bytes long.
 Data: <(A0=!           > 28 41 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002213D303060, 16 bytes long.
 Data: < A0=!           > 00 41 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002213D302FC0, 16 bytes long.
 Data: <&#216;@0=!           > D8 40 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002213D3037E0, 16 bytes long.
 Data: <&#176;@0=!           > B0 40 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002213D303920, 16 bytes long.
 Data: < &#225;/=!           > 10 E1 2F 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002213D2FE110, 40 bytes long.
 Data: < 90=!    &#196;&#209;>!   > 20 39 30 3D 21 02 00 00 90 C4 D1 3E 21 02 00 00 
{257} normal block at 0x000002213D302F70, 16 bytes long.
 Data: < @0=!           > 90 40 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002213D303880, 16 bytes long.
 Data: <h@0=!           > 68 40 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002213D2FC430, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002213D303A10, 16 bytes long.
 Data: <@@0=!           > 40 40 30 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002213D304040, 992 bytes long.
 Data: < :0=!   0&#196;/=!   > 10 3A 30 3D 21 02 00 00 30 C4 2F 3D 21 02 00 00 
{89} normal block at 0x000002213D2FC370, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002213D2F6F70, 16 bytes long.
 Data: < &#225;/=!           > 80 E1 2F 3D 21 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002213D2FE180, 40 bytes long.
 Data: <po/=!   p&#195;/=!   > 70 6F 2F 3D 21 02 00 00 70 C3 2F 3D 21 02 00 00 
{66} normal block at 0x000002213D2F7420, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002213D2F7560, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002213D2F6E30, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002213D2F7790, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002213D2F6D40, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002213D2F79C0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002213D2F7510, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002213D2F7880, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002213D2F7470, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002213D2F76A0, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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