Task 38647595

Name test_486-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND7615_0
Workunit 31592323
Created 23 Oct 2026, 20:14:40 UTC
Sent 23 Oct 2026, 20:27:28 UTC
Report deadline 28 Oct 2026, 20:27:28 UTC
Received 23 Oct 2026, 23:07:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 53 min 35 sec
CPU time 48 min 10 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 728.84 MB
Peak swap size 6.86 GB
Peak disk usage 4.01 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:13:58 (6296): wrapper (7.9.26016): starting
07:13:58 (6296): 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
07:13:59 (6296): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:13:59 (6296): 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\13\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\13\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
08:06:54 (6296): C:/Windows/system32/cmd.exe exited; CPU time 2890.359375
08:06:54 (6296): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46818447 bytes.
Dumping objects ->
{3835659} normal block at 0x0000023AB64CDA60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x0000023AB64CCD40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x0000023AB64CDB40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x0000023AB64CCCD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x0000023AB64CD050, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x0000023AB646F470, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x0000023AB64D1740, 102 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) : {3835570} normal block at 0x0000023AB44FF850, 8 bytes long.
 Data: <  I&#180;:   > 00 00 49 B4 3A 02 00 00 
{3834789} normal block at 0x0000023AB64D17F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000023AB44FFB20, 8 bytes long.
 Data: <P*O&#180;:   > 50 2A 4F B4 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023AB44FC6D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023AB44F4830, 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 0x0000023AB4509690, 16 bytes long.
 Data: <&#200; P&#180;:           > C8 9F 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023AB45090A0, 16 bytes long.
 Data: <  P&#180;:           > A0 9F 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023AB4504E00, 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 0x0000023AB4509000, 16 bytes long.
 Data: <x P&#180;:           > 78 9F 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023AB4509050, 16 bytes long.
 Data: <P P&#180;:           > 50 9F 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023AB4509500, 16 bytes long.
 Data: <( P&#180;:           > 28 9F 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023AB4509AF0, 16 bytes long.
 Data: <  P&#180;:           > 00 9F 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023AB4502EC0, 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 0x0000023AB4509280, 16 bytes long.
 Data: < TO&#180;:           > 88 54 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023AB4504DA0, 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 0x0000023AB4508FB0, 16 bytes long.
 Data: <`TO&#180;:           > 60 54 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023AB45095F0, 16 bytes long.
 Data: <8TO&#180;:           > 38 54 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023AB4509320, 16 bytes long.
 Data: < TO&#180;:           > 10 54 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023AB4509870, 16 bytes long.
 Data: < SO&#180;:           > E8 53 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023AB45092D0, 16 bytes long.
 Data: <&#192;SO&#180;:           > C0 53 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023AB4508DD0, 16 bytes long.
 Data: < SO&#180;:           > 98 53 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023AB4504D40, 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 0x0000023AB4508F60, 16 bytes long.
 Data: <pSO&#180;:           > 70 53 4F B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023AB44F5370, 320 bytes long.
 Data: <` P&#180;:   @MP&#180;:   > 60 8F 50 B4 3A 02 00 00 40 4D 50 B4 3A 02 00 00 
{277} normal block at 0x0000023AB4508F10, 16 bytes long.
 Data: <  P&#180;:           > E0 9E 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023AB45095A0, 16 bytes long.
 Data: <&#184; P&#180;:           > B8 9E 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023AB4504C20, 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 0x0000023AB4509780, 16 bytes long.
 Data: <  P&#180;:           > 90 9E 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023AB45045C0, 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 0x0000023AB4508E20, 16 bytes long.
 Data: <&#216; P&#180;:           > D8 9D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023AB4509550, 16 bytes long.
 Data: <&#176; P&#180;:           > B0 9D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023AB45091E0, 16 bytes long.
 Data: <  P&#180;:           > 88 9D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023AB45094B0, 16 bytes long.
 Data: <` P&#180;:           > 60 9D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023AB4509370, 16 bytes long.
 Data: <8 P&#180;:           > 38 9D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023AB4508D80, 16 bytes long.
 Data: <  P&#180;:           > 10 9D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023AB4508D30, 16 bytes long.
 Data: < -P&#180;:           > 00 2D 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023AB4502D00, 40 bytes long.
 Data: <0 P&#180;:   p F&#182;:   > 30 8D 50 B4 3A 02 00 00 70 F4 46 B6 3A 02 00 00 
{263} normal block at 0x0000023AB4509410, 16 bytes long.
 Data: <  P&#180;:           > F0 9C 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023AB4509640, 16 bytes long.
 Data: <&#200; P&#180;:           > C8 9C 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023AB4504AA0, 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 0x0000023AB4508CE0, 16 bytes long.
 Data: <  P&#180;:           > A0 9C 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023AB4509CA0, 992 bytes long.
 Data: <  P&#180;:    JP&#180;:   > E0 8C 50 B4 3A 02 00 00 A0 4A 50 B4 3A 02 00 00 
{95} normal block at 0x0000023AB4504980, 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 0x0000023AB44FF530, 16 bytes long.
 Data: < 3P&#180;:           > 90 33 50 B4 3A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023AB4503390, 40 bytes long.
 Data: <0 O&#180;:    IP&#180;:   > 30 F5 4F B4 3A 02 00 00 80 49 50 B4 3A 02 00 00 
{70} normal block at 0x0000023AB44FF620, 16 bytes long.
 Data: <  &#211;0            > 80 EA D3 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023AB44FEF90, 16 bytes long.
 Data: <@ &#211;0            > 40 E9 D3 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023AB44FECC0, 16 bytes long.
 Data: < W&#208;0            > F8 57 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023AB44FF3F0, 16 bytes long.
 Data: <&#216;W&#208;0            > D8 57 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023AB44FF080, 16 bytes long.
 Data: <P &#208;0            > 50 04 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023AB44FF300, 16 bytes long.
 Data: <0 &#208;0            > 30 04 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023AB44FF210, 16 bytes long.
 Data: <  &#208;0            > E0 02 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023AB44FFB70, 16 bytes long.
 Data: <  &#208;0            > 10 04 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023AB44FF3A0, 16 bytes long.
 Data: <p &#208;0            > 70 04 D0 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023AB44FFBC0, 16 bytes long.
 Data: < &#192;&#206;0            > 18 C0 CE 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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