Task 38685349

Name test_148-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND0554_0
Workunit 31626819
Created 27 Oct 2026, 20:37:53 UTC
Sent 27 Oct 2026, 20:37:56 UTC
Report deadline 1 Nov 2026, 20:37:56 UTC
Received 27 Oct 2026, 21:05:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 27 min 4 sec
CPU time 22 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.79 MB
Peak swap size 10.03 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
16:39:31 (55552): wrapper (7.9.26016): starting
16:39:31 (55552): 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
16:39:33 (55552): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:39:33 (55552): 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\25\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\25\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
17:05:21 (55552): C:/Windows/system32/cmd.exe exited; CPU time 1362.375000
17:05:21 (55552): 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: 48294251 bytes.
Dumping objects ->
{3835602} normal block at 0x00000206F81BF740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x00000206F81BF350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x00000206F81BF660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x00000206F6476C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000206F6476BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x00000206F820BB50, 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) : {3835514} normal block at 0x00000206F646C6E0, 8 bytes long.
 Data: <  &#147;&#246;    > 00 00 93 F6 06 02 00 00 
{3833973} normal block at 0x00000206F646C3C0, 8 bytes long.
 Data: <&#192;&#233;E&#246;    > C0 E9 45 F6 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000206F6472A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000206F64678C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000206F6477E30, 16 bytes long.
 Data: <8&#138;G&#246;            > 38 8A 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000206F6477DE0, 16 bytes long.
 Data: < &#138;G&#246;            > 10 8A 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000206F6471090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x00000206F6478330, 16 bytes long.
 Data: <&#232;&#137;G&#246;            > E8 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000206F6478380, 16 bytes long.
 Data: <&#192;&#137;G&#246;            > C0 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000206F6477D40, 16 bytes long.
 Data: < &#137;G&#246;            > 98 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000206F6477CA0, 16 bytes long.
 Data: <p&#137;G&#246;            > 70 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000206F6476760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000206F6478290, 16 bytes long.
 Data: <  F&#246;            > 18 05 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206F6470790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x00000206F6478420, 16 bytes long.
 Data: <&#240; F&#246;            > F0 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206F6477D90, 16 bytes long.
 Data: <&#200; F&#246;            > C8 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206F6477F70, 16 bytes long.
 Data: <&#160; F&#246;            > A0 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000206F64783D0, 16 bytes long.
 Data: <x F&#246;            > 78 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000206F6478100, 16 bytes long.
 Data: <P F&#246;            > 50 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206F6477BB0, 16 bytes long.
 Data: <( F&#246;            > 28 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206F6470610, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000206F6477C50, 16 bytes long.
 Data: <  F&#246;            > 00 04 46 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206F6460400, 320 bytes long.
 Data: <P|G&#246;      G&#246;    > 50 7C 47 F6 06 02 00 00 10 06 47 F6 06 02 00 00 
{282} normal block at 0x00000206F6477AC0, 16 bytes long.
 Data: <P&#137;G&#246;            > 50 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206F64780B0, 16 bytes long.
 Data: <(&#137;G&#246;            > 28 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206F6470CD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x00000206F64777F0, 16 bytes long.
 Data: < &#137;G&#246;            > 00 89 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000206F64709D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x00000206F6478240, 16 bytes long.
 Data: <H G&#246;            > 48 88 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000206F6477FC0, 16 bytes long.
 Data: <  G&#246;            > 20 88 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000206F6477B10, 16 bytes long.
 Data: <&#248;&#135;G&#246;            > F8 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206F64777A0, 16 bytes long.
 Data: <&#208;&#135;G&#246;            > D0 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206F6477CF0, 16 bytes long.
 Data: <&#168;&#135;G&#246;            > A8 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206F6477C00, 16 bytes long.
 Data: < &#135;G&#246;            > 80 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206F6477980, 16 bytes long.
 Data: <&#176;hG&#246;            > B0 68 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206F64768B0, 40 bytes long.
 Data: < yG&#246;    P&#187; &#248;    > 80 79 47 F6 06 02 00 00 50 BB 20 F8 06 02 00 00 
{268} normal block at 0x00000206F64781F0, 16 bytes long.
 Data: <`&#135;G&#246;            > 60 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206F64782E0, 16 bytes long.
 Data: <8&#135;G&#246;            > 38 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206F64705B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x00000206F6477B60, 16 bytes long.
 Data: < &#135;G&#246;            > 10 87 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000206F6478710, 992 bytes long.
 Data: <`{G&#246;    &#176; G&#246;    > 60 7B 47 F6 06 02 00 00 B0 05 47 F6 06 02 00 00 
{100} normal block at 0x00000206F6471030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x00000206F646C370, 16 bytes long.
 Data: <&#160;lG&#246;            > A0 6C 47 F6 06 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x00000206F6476CA0, 40 bytes long.
 Data: <p&#195;F&#246;    0 G&#246;    > 70 C3 46 F6 06 02 00 00 30 10 47 F6 06 02 00 00 
{77} normal block at 0x00000206F646C320, 16 bytes long.
 Data: < &#234;&#194;&#133;&#246;           > 80 EA C2 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000206F646CB40, 16 bytes long.
 Data: <@&#233;&#194;&#133;&#246;           > 40 E9 C2 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000206F646C780, 16 bytes long.
 Data: <&#248;W&#191;&#133;&#246;           > F8 57 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000206F646BF60, 16 bytes long.
 Data: <&#216;W&#191;&#133;&#246;           > D8 57 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000206F646C690, 16 bytes long.
 Data: <P &#191;&#133;&#246;           > 50 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000206F646C550, 16 bytes long.
 Data: <0 &#191;&#133;&#246;           > 30 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000206F646BCE0, 16 bytes long.
 Data: <&#224; &#191;&#133;&#246;           > E0 02 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000206F646C2D0, 16 bytes long.
 Data: <  &#191;&#133;&#246;           > 10 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000206F646BC90, 16 bytes long.
 Data: <p &#191;&#133;&#246;           > 70 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206F646C050, 16 bytes long.
 Data: < &#192;&#189;&#133;&#246;           > 18 C0 BD 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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