Task 38678914

Name test_768-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2803_0
Workunit 31620717
Created 26 Oct 2026, 18:54:00 UTC
Sent 26 Oct 2026, 18:54:09 UTC
Report deadline 31 Oct 2026, 18:54:09 UTC
Received 26 Oct 2026, 21:35:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 38 min 50 sec
CPU time 35 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.03 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:57:05 (3696): wrapper (7.9.26016): starting
16:57:05 (3696): 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
16:57:08 (3696): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:57:08 (3696): 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\16\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\16\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
17:34:02 (3696): C:/Windows/system32/cmd.exe exited; CPU time 2131.593750
17:34:02 (3696): 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: 39644777 bytes.
Dumping objects ->
{3835262} normal block at 0x000001EE99DE13B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001EE99DE0CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001EE99DE1810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001EE99D94920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001EE99D94CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001EE9BAF4140, 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) : {3835174} normal block at 0x000001EE99D8F640, 8 bytes long.
 Data: <  &#213; &#238;   > 00 00 D5 99 EE 01 00 00 
{3833959} normal block at 0x000001EE99D8F5F0, 8 bytes long.
 Data: < &#221;&#176;&#155;&#238;   > 00 DD B0 9B EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EE99D909E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EE99D85FA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001EE99D95C50, 16 bytes long.
 Data: <hU&#217; &#238;           > 68 55 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE99D95750, 16 bytes long.
 Data: <@U&#217; &#238;           > 40 55 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EE99D8FDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001EE99D95840, 16 bytes long.
 Data: < U&#217; &#238;           > 18 55 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE99D962E0, 16 bytes long.
 Data: <&#240;T&#217; &#238;           > F0 54 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE99D959D0, 16 bytes long.
 Data: <&#200;T&#217; &#238;           > C8 54 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE99D96100, 16 bytes long.
 Data: <&#160;T&#217; &#238;           > A0 54 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EE99D94D10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001EE99D96510, 16 bytes long.
 Data: <&#232;&#181;&#215; &#238;           > E8 B5 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE99D8FC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001EE99D95CF0, 16 bytes long.
 Data: <&#192;&#181;&#215; &#238;           > C0 B5 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE99D961F0, 16 bytes long.
 Data: < &#181;&#215; &#238;           > 98 B5 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE99D956B0, 16 bytes long.
 Data: <p&#181;&#215; &#238;           > 70 B5 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE99D95AC0, 16 bytes long.
 Data: <H&#181;&#215; &#238;           > 48 B5 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE99D960B0, 16 bytes long.
 Data: < &#181;&#215; &#238;           > 20 B5 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE99D957F0, 16 bytes long.
 Data: <&#248;&#180;&#215; &#238;           > F8 B4 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE99D904D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001EE99D96600, 16 bytes long.
 Data: <&#208;&#180;&#215; &#238;           > D0 B4 D7 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE99D7B4D0, 320 bytes long.
 Data: < f&#217; &#238;   &#208; &#217; &#238;   > 00 66 D9 99 EE 01 00 00 D0 04 D9 99 EE 01 00 00 
{275} normal block at 0x000001EE99D95930, 16 bytes long.
 Data: < T&#217; &#238;           > 80 54 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE99D96150, 16 bytes long.
 Data: <XT&#217; &#238;           > 58 54 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EE99D90170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001EE99D95B10, 16 bytes long.
 Data: <0T&#217; &#238;           > 30 54 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE99D8FD50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001EE99D96010, 16 bytes long.
 Data: <xS&#217; &#238;           > 78 53 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE99D95700, 16 bytes long.
 Data: <PS&#217; &#238;           > 50 53 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE99D95A20, 16 bytes long.
 Data: <(S&#217; &#238;           > 28 53 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE99D961A0, 16 bytes long.
 Data: < S&#217; &#238;           > 00 53 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE99D965B0, 16 bytes long.
 Data: <&#216;R&#217; &#238;           > D8 52 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE99D8EE20, 16 bytes long.
 Data: <&#176;R&#217; &#238;           > B0 52 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE99D8F690, 16 bytes long.
 Data: <&#240;F&#217; &#238;           > F0 46 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE99D946F0, 40 bytes long.
 Data: < &#246;&#216; &#238;   @A&#175;&#155;&#238;   > 90 F6 D8 99 EE 01 00 00 40 41 AF 9B EE 01 00 00 
{261} normal block at 0x000001EE99D8F410, 16 bytes long.
 Data: < R&#217; &#238;           > 90 52 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE99D8EDD0, 16 bytes long.
 Data: <hR&#217; &#238;           > 68 52 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EE99D90590, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001EE99D8F3C0, 16 bytes long.
 Data: <@R&#217; &#238;           > 40 52 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EE99D95240, 992 bytes long.
 Data: <&#192;&#243;&#216; &#238;     &#217; &#238;   > C0 F3 D8 99 EE 01 00 00 90 05 D9 99 EE 01 00 00 
{93} normal block at 0x000001EE99D8F8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001EE99D8F190, 16 bytes long.
 Data: < F&#217; &#238;           > 80 46 D9 99 EE 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001EE99D94680, 40 bytes long.
 Data: < &#241;&#216; &#238;   &#208;&#248;&#216; &#238;   > 90 F1 D8 99 EE 01 00 00 D0 F8 D8 99 EE 01 00 00 
{70} normal block at 0x000001EE99D8F460, 16 bytes long.
 Data: < &#234; I&#246;           > 80 EA 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE99D8EE70, 16 bytes long.
 Data: <@&#233; I&#246;           > 40 E9 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE99D8EA60, 16 bytes long.
 Data: <&#248;W|I&#246;           > F8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE99D8E790, 16 bytes long.
 Data: <&#216;W|I&#246;           > D8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE99D8F1E0, 16 bytes long.
 Data: <P |I&#246;           > 50 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE99D8F5A0, 16 bytes long.
 Data: <0 |I&#246;           > 30 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE99D8E7E0, 16 bytes long.
 Data: <&#224; |I&#246;           > E0 02 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE99D8E9C0, 16 bytes long.
 Data: <  |I&#246;           > 10 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE99D8F550, 16 bytes long.
 Data: <p |I&#246;           > 70 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE99D8F230, 16 bytes long.
 Data: < &#192;zI&#246;           > 18 C0 7A 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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