Task 38675809

Name test_101-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7693_0
Workunit 31617758
Created 26 Oct 2026, 9:21:52 UTC
Sent 26 Oct 2026, 9:22:01 UTC
Report deadline 31 Oct 2026, 9:22:01 UTC
Received 26 Oct 2026, 11:21:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 8 sec
CPU time 46 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.14 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:34:59 (6268): wrapper (7.9.26016): starting
03:34:59 (6268): 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
03:35:01 (6268): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:35:02 (6268): 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 'E:\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 'E:\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
04:21:16 (6268): C:/Windows/system32/cmd.exe exited; CPU time 2793.421875
04:21:16 (6268): 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: 32528177 bytes.
Dumping objects ->
{3835223} normal block at 0x000001D1ADBA15C0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001D1ADBA1550, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001D1ADBA1400, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001D1ADBA14E0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001D1ADBA11D0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001D1AF6E2C10, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001D1AF5FE9B0, 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) : {3835134} normal block at 0x000001D1ADB96CD0, 8 bytes long.
 Data: <  &#182;&#173;&#209;   > 00 00 B6 AD D1 01 00 00 
{3834539} normal block at 0x000001D1AF5FE1D0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001D1ADB96FA0, 8 bytes long.
 Data: < "t&#175;&#209;   > 80 22 74 AF D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D1ADB9FFF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D1ADB85DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001D1ADBA1E80, 16 bytes long.
 Data: < ;&#186;&#173;&#209;           > 88 3B BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1ADBA1A20, 16 bytes long.
 Data: <`;&#186;&#173;&#209;           > 60 3B BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D1ADB9D850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001D1ADBA2510, 16 bytes long.
 Data: <8;&#186;&#173;&#209;           > 38 3B BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1ADBA2470, 16 bytes long.
 Data: < ;&#186;&#173;&#209;           > 10 3B BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D1ADBA19D0, 16 bytes long.
 Data: <&#232;:&#186;&#173;&#209;           > E8 3A BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D1ADBA2240, 16 bytes long.
 Data: <&#192;:&#186;&#173;&#209;           > C0 3A BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1ADBA1390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001D1ADBA18E0, 16 bytes long.
 Data: <H]&#184;&#173;&#209;           > 48 5D B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D1ADB9D370, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001D1ADBA2150, 16 bytes long.
 Data: < ]&#184;&#173;&#209;           > 20 5D B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1ADBA20B0, 16 bytes long.
 Data: <&#248;\&#184;&#173;&#209;           > F8 5C B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D1ADBA1DE0, 16 bytes long.
 Data: <&#208;\&#184;&#173;&#209;           > D0 5C B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1ADBA23D0, 16 bytes long.
 Data: <&#168;\&#184;&#173;&#209;           > A8 5C B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D1ADBA1890, 16 bytes long.
 Data: < \&#184;&#173;&#209;           > 80 5C B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1ADBA1CA0, 16 bytes long.
 Data: <X\&#184;&#173;&#209;           > 58 5C B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1ADB9D9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001D1ADBA21F0, 16 bytes long.
 Data: <0\&#184;&#173;&#209;           > 30 5C B8 AD D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1ADB85C30, 320 bytes long.
 Data: <&#240;!&#186;&#173;&#209;   &#208;&#217;&#185;&#173;&#209;   > F0 21 BA AD D1 01 00 00 D0 D9 B9 AD D1 01 00 00 
{272} normal block at 0x000001D1ADBA1E30, 16 bytes long.
 Data: <&#160;:&#186;&#173;&#209;           > A0 3A BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1ADBA1980, 16 bytes long.
 Data: <x:&#186;&#173;&#209;           > 78 3A BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1ADB9CCB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001D1ADBA27E0, 16 bytes long.
 Data: <P:&#186;&#173;&#209;           > 50 3A BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1ADB9CD10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001D1ADBA1D90, 16 bytes long.
 Data: < 9&#186;&#173;&#209;           > 98 39 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D1ADBA2380, 16 bytes long.
 Data: <p9&#186;&#173;&#209;           > 70 39 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1ADBA2790, 16 bytes long.
 Data: <H9&#186;&#173;&#209;           > 48 39 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1ADBA2740, 16 bytes long.
 Data: < 9&#186;&#173;&#209;           > 20 39 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D1ADBA1BB0, 16 bytes long.
 Data: <&#248;8&#186;&#173;&#209;           > F8 38 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1ADBA24C0, 16 bytes long.
 Data: <&#208;8&#186;&#173;&#209;           > D0 38 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D1ADBA2330, 16 bytes long.
 Data: <&#176; &#186;&#173;&#209;           > B0 12 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D1ADBA12B0, 40 bytes long.
 Data: <0#&#186;&#173;&#209;    ,n&#175;&#209;   > 30 23 BA AD D1 01 00 00 10 2C 6E AF D1 01 00 00 
{258} normal block at 0x000001D1ADBA1F70, 16 bytes long.
 Data: <&#176;8&#186;&#173;&#209;           > B0 38 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D1ADBA1C50, 16 bytes long.
 Data: < 8&#186;&#173;&#209;           > 88 38 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D1ADB9D550, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001D1ADBA2290, 16 bytes long.
 Data: <`8&#186;&#173;&#209;           > 60 38 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D1ADBA3860, 992 bytes long.
 Data: < "&#186;&#173;&#209;   P&#213;&#185;&#173;&#209;   > 90 22 BA AD D1 01 00 00 50 D5 B9 AD D1 01 00 00 
{90} normal block at 0x000001D1ADB9D730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001D1ADB96B90, 16 bytes long.
 Data: <  &#186;&#173;&#209;           > 80 10 BA AD D1 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001D1ADBA1080, 40 bytes long.
 Data: < k&#185;&#173;&#209;   0&#215;&#185;&#173;&#209;   > 90 6B B9 AD D1 01 00 00 30 D7 B9 AD D1 01 00 00 
{67} normal block at 0x000001D1ADB97450, 16 bytes long.
 Data: < &#234; P&#246;           > 80 EA 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D1ADB973B0, 16 bytes long.
 Data: <@&#233; P&#246;           > 40 E9 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D1ADB96C80, 16 bytes long.
 Data: <&#248;W&#138;P&#246;           > F8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D1ADB96640, 16 bytes long.
 Data: <&#216;W&#138;P&#246;           > D8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D1ADB96A00, 16 bytes long.
 Data: <P &#138;P&#246;           > 50 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D1ADB96500, 16 bytes long.
 Data: <0 &#138;P&#246;           > 30 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D1ADB97360, 16 bytes long.
 Data: <&#224; &#138;P&#246;           > E0 02 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D1ADB96870, 16 bytes long.
 Data: <  &#138;P&#246;           > 10 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D1ADB96690, 16 bytes long.
 Data: <p &#138;P&#246;           > 70 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D1ADB97090, 16 bytes long.
 Data: < &#192; P&#246;           > 18 C0 88 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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