Task 38697299

Name test_40-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8339_0
Workunit 31637883
Created 1 Nov 2026, 12:16:39 UTC
Sent 1 Nov 2026, 12:16:43 UTC
Report deadline 6 Nov 2026, 12:16:43 UTC
Received 1 Nov 2026, 13:31:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609821
Run time 1 hours 9 min
CPU time 1 hours 6 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.06 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:23:03 (16960): wrapper (7.9.26016): starting
21:23:03 (16960): 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
21:23:06 (16960): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:23:06 (16960): 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\0\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\0\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
22:30:19 (16960): C:/Windows/system32/cmd.exe exited; CPU time 3981.046875
22:30:19 (16960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 55557419 bytes.
Dumping objects ->
{3835380} normal block at 0x000001ED18986690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000001ED18986460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000001ED18986310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000001ED189862A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000001ED18986620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000001ED1AAB8DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835294} normal block at 0x000001ED1897B1C0, 200 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) : {3835291} normal block at 0x000001ED1897E570, 8 bytes long.
 Data: <        > 00 00 91 18 ED 01 00 00 
{3834673} normal block at 0x000001ED1897B0B0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834057} normal block at 0x000001ED1897EE30, 8 bytes long.
 Data: <P       > 50 10 9D 18 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ED18980DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001ED18976610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001ED189849C0, 16 bytes long.
 Data: < `              > 08 60 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED18984F60, 16 bytes long.
 Data: < _              > E0 5F 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ED18980020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001ED18984CE0, 16 bytes long.
 Data: <&#184;_              > B8 5F 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED18984E70, 16 bytes long.
 Data: < _              > 90 5F 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ED18984BA0, 16 bytes long.
 Data: <h_              > 68 5F 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED189851E0, 16 bytes long.
 Data: <@_              > 40 5F 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED189861C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001ED189855A0, 16 bytes long.
 Data: <&#216;D              > D8 44 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED189801A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001ED18985320, 16 bytes long.
 Data: <&#176;D              > B0 44 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED189852D0, 16 bytes long.
 Data: < D              > 88 44 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED18984EC0, 16 bytes long.
 Data: <`D              > 60 44 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED18985000, 16 bytes long.
 Data: <8D              > 38 44 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED18984F10, 16 bytes long.
 Data: < D              > 10 44 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED18985780, 16 bytes long.
 Data: < C              > E8 43 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED1897F8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001ED18985640, 16 bytes long.
 Data: <&#192;C              > C0 43 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED189843C0, 320 bytes long.
 Data: <@V              > 40 56 98 18 ED 01 00 00 A0 F8 97 18 ED 01 00 00 
{276} normal block at 0x000001ED18984970, 16 bytes long.
 Data: < _              > 20 5F 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED18985820, 16 bytes long.
 Data: < ^              > F8 5E 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED1897F540, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001ED189850F0, 16 bytes long.
 Data: <&#208;^              > D0 5E 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED1897FBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001ED18984E20, 16 bytes long.
 Data: < ^              > 18 5E 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED18984C40, 16 bytes long.
 Data: < ]              > F0 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED18984DD0, 16 bytes long.
 Data: <&#200;]              > C8 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED18985230, 16 bytes long.
 Data: < ]              > A0 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED18985730, 16 bytes long.
 Data: <x]              > 78 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED189854B0, 16 bytes long.
 Data: <P]              > 50 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED18985410, 16 bytes long.
 Data: <&#176;&#209;              > B0 D1 96 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED1896D1B0, 40 bytes long.
 Data: < T      &#176; &#171;     > 10 54 98 18 ED 01 00 00 B0 8D AB 1A ED 01 00 00 
{262} normal block at 0x000001ED189855F0, 16 bytes long.
 Data: <0]              > 30 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED18985870, 16 bytes long.
 Data: < ]              > 08 5D 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ED1897F5A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001ED189850A0, 16 bytes long.
 Data: < \              > E0 5C 98 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED18985CE0, 992 bytes long.
 Data: < P              > A0 50 98 18 ED 01 00 00 A0 F5 97 18 ED 01 00 00 
{94} normal block at 0x000001ED1897FB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001ED1897EA20, 16 bytes long.
 Data: < &#180;              > 90 B4 96 18 ED 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001ED1896B490, 40 bytes long.
 Data: <        @       > 20 EA 97 18 ED 01 00 00 40 FB 97 18 ED 01 00 00 
{69} normal block at 0x000001ED1897E750, 16 bytes long.
 Data: <   &#195;            > 80 EA 90 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED1897EFC0, 16 bytes long.
 Data: <@  &#195;            > 40 E9 90 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED1897EF70, 16 bytes long.
 Data: < W &#195;            > F8 57 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED1897E890, 16 bytes long.
 Data: <&#216;W &#195;            > D8 57 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED1897EAC0, 16 bytes long.
 Data: <P  &#195;            > 50 04 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED1897ED40, 16 bytes long.
 Data: <0  &#195;            > 30 04 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED1897F240, 16 bytes long.
 Data: <   &#195;            > E0 02 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED1897F420, 16 bytes long.
 Data: <   &#195;            > 10 04 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED1897F330, 16 bytes long.
 Data: <p  &#195;            > 70 04 8D C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED1897E840, 16 bytes long.
 Data: < &#192; &#195;            > 18 C0 8B C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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