Task 38681893

Name test_966-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8701_0
Workunit 31623536
Created 27 Oct 2026, 5:46:59 UTC
Sent 27 Oct 2026, 5:47:03 UTC
Report deadline 1 Nov 2026, 5:47:03 UTC
Received 27 Oct 2026, 7:29:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 32 min 26 sec
CPU time 29 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.09 MB
Peak swap size 6.89 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:57:45 (31364): wrapper (7.9.26016): starting
01:57:45 (31364): 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
01:57:47 (31364): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:57:47 (31364): 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\14\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\14\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
02:28:55 (31364): C:/Windows/system32/cmd.exe exited; CPU time 1778.093750
02:28:55 (31364): 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: 41522603 bytes.
Dumping objects ->
{3835265} normal block at 0x0000023F63A9EB30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000023F61E34DB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000023F61E34D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000023F61E34C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000023F61E34B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000023F63AEC180, 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) : {3835177} normal block at 0x0000023F61E2F800, 8 bytes long.
 Data: <  @b?   > 00 00 40 62 3F 02 00 00 
{3833963} normal block at 0x0000023F61E2FCB0, 8 bytes long.
 Data: <  &#229;a?   > 00 98 E5 61 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023F61E30EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023F61E25D30, 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 0x0000023F61E353C0, 16 bytes long.
 Data: < f&#227;a?           > 08 66 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023F61E35780, 16 bytes long.
 Data: <&#224;e&#227;a?           > E0 65 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023F61E2EBD0, 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 0x0000023F61E356E0, 16 bytes long.
 Data: <&#184;e&#227;a?           > B8 65 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023F61E35D70, 16 bytes long.
 Data: < e&#227;a?           > 90 65 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023F61E36090, 16 bytes long.
 Data: <he&#227;a?           > 68 65 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023F61E35370, 16 bytes long.
 Data: <@e&#227;a?           > 40 65 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023F61E35130, 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 0x0000023F61E35B90, 16 bytes long.
 Data: < &#227;&#225;a?           > 08 E3 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023F61E2F050, 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 0x0000023F61E35A50, 16 bytes long.
 Data: <&#224;&#226;&#225;a?           > E0 E2 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023F61E361D0, 16 bytes long.
 Data: <&#184;&#226;&#225;a?           > B8 E2 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023F61E35320, 16 bytes long.
 Data: < &#226;&#225;a?           > 90 E2 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023F61E35820, 16 bytes long.
 Data: <h&#226;&#225;a?           > 68 E2 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023F61E35500, 16 bytes long.
 Data: <@&#226;&#225;a?           > 40 E2 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023F61E36130, 16 bytes long.
 Data: < &#226;&#225;a?           > 18 E2 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F61E2E870, 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 0x0000023F61E355F0, 16 bytes long.
 Data: <&#240;&#225;&#225;a?           > F0 E1 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023F61E1E1F0, 320 bytes long.
 Data: <&#240;U&#227;a?   p&#232;&#226;a?   > F0 55 E3 61 3F 02 00 00 70 E8 E2 61 3F 02 00 00 
{277} normal block at 0x0000023F61E360E0, 16 bytes long.
 Data: < e&#227;a?           > 20 65 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023F61E36040, 16 bytes long.
 Data: <&#248;d&#227;a?           > F8 64 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023F61E2EB10, 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 0x0000023F61E35870, 16 bytes long.
 Data: <&#208;d&#227;a?           > D0 64 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023F61E2E7B0, 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 0x0000023F61E36270, 16 bytes long.
 Data: < d&#227;a?           > 18 64 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023F61E35E10, 16 bytes long.
 Data: <&#240;c&#227;a?           > F0 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023F61E35730, 16 bytes long.
 Data: <&#200;c&#227;a?           > C8 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023F61E35550, 16 bytes long.
 Data: <&#160;c&#227;a?           > A0 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F61E36180, 16 bytes long.
 Data: <xc&#227;a?           > 78 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023F61E35B40, 16 bytes long.
 Data: <Pc&#227;a?           > 50 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023F61E35FF0, 16 bytes long.
 Data: < N&#227;a?           > 20 4E E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023F61E34E20, 40 bytes long.
 Data: <&#240;_&#227;a?    &#193;&#174;c?   > F0 5F E3 61 3F 02 00 00 80 C1 AE 63 3F 02 00 00 
{263} normal block at 0x0000023F61E35D20, 16 bytes long.
 Data: <0c&#227;a?           > 30 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023F61E35C80, 16 bytes long.
 Data: < c&#227;a?           > 08 63 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023F61E2F4D0, 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 0x0000023F61E35C30, 16 bytes long.
 Data: <&#224;b&#227;a?           > E0 62 E3 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023F61E362E0, 992 bytes long.
 Data: <0\&#227;a?   &#208;&#244;&#226;a?   > 30 5C E3 61 3F 02 00 00 D0 F4 E2 61 3F 02 00 00 
{95} normal block at 0x0000023F61E2EF30, 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 0x0000023F61E2FC60, 16 bytes long.
 Data: < &#225;&#225;a?           > 80 E1 E1 61 3F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023F61E1E180, 40 bytes long.
 Data: <`&#252;&#226;a?   0&#239;&#226;a?   > 60 FC E2 61 3F 02 00 00 30 EF E2 61 3F 02 00 00 
{72} normal block at 0x0000023F61E302F0, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023F61E2FAD0, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023F61E2FF80, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023F61E2FE90, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023F61E30110, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023F61E30610, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023F61E30570, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023F61E2F990, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023F61E2F940, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023F61E2FDF0, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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