Task 38688859

Name test_187-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND2606_0
Workunit 31630165
Created 28 Oct 2026, 16:33:38 UTC
Sent 28 Oct 2026, 16:33:42 UTC
Report deadline 2 Nov 2026, 16:33:42 UTC
Received 28 Oct 2026, 18:11:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 18 min 55 sec
CPU time 18 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.49 MB
Peak swap size 8.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:00 (13060): wrapper (7.9.26016): starting
18:53:00 (13060): 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
18:53:01 (13060): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:01 (13060): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
19:11:22 (13060): C:/Windows/system32/cmd.exe exited; CPU time 1081.156250
19:11:22 (13060): 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: 19302357 bytes.
Dumping objects ->
{3835289} normal block at 0x00000215792AAB70, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x00000215792A9F30, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x0000021579285480, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x0000021579284DF0, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x00000215792853A0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x000002157AF948B0, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000002157AFAF260, 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) : {3835200} normal block at 0x000002157927D850, 8 bytes long.
 Data: <   y    > 00 00 20 79 15 02 00 00 
{3834573} normal block at 0x000002157AFAEFA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002157927D760, 8 bytes long.
 Data: <P_&#255;z    > 50 5F FF 7A 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021579281D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021579276620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000021579285D50, 16 bytes long.
 Data: <xl(y            > 78 6C 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000215792866B0, 16 bytes long.
 Data: <Pl(y            > 50 6C 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002157927F9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000021579285F30, 16 bytes long.
 Data: <(l(y            > 28 6C 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021579286610, 16 bytes long.
 Data: < l(y            > 00 6C 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021579286070, 16 bytes long.
 Data: <&#216;k(y            > D8 6B 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021579286660, 16 bytes long.
 Data: <&#176;k(y            > B0 6B 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021579284E60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000021579286520, 16 bytes long.
 Data: < &#147;'y            > 88 93 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002157927FEB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000215792864D0, 16 bytes long.
 Data: <`&#147;'y            > 60 93 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021579286480, 16 bytes long.
 Data: <8&#147;'y            > 38 93 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021579285B70, 16 bytes long.
 Data: < &#147;'y            > 10 93 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021579285E40, 16 bytes long.
 Data: <&#232;&#146;'y            > E8 92 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021579286430, 16 bytes long.
 Data: <&#192;&#146;'y            > C0 92 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021579286390, 16 bytes long.
 Data: < &#146;'y            > 98 92 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002157927F850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000021579285EE0, 16 bytes long.
 Data: <p&#146;'y            > 70 92 27 79 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021579279270, 320 bytes long.
 Data: <&#224;^(y    P&#248;'y    > E0 5E 28 79 15 02 00 00 50 F8 27 79 15 02 00 00 
{278} normal block at 0x0000021579286340, 16 bytes long.
 Data: < k(y            > 90 6B 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021579285B20, 16 bytes long.
 Data: <hk(y            > 68 6B 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002157927F7F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000021579286250, 16 bytes long.
 Data: <@k(y            > 40 6B 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002157927F310, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000215792862F0, 16 bytes long.
 Data: < j(y            > 88 6A 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021579285A80, 16 bytes long.
 Data: <`j(y            > 60 6A 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021579286570, 16 bytes long.
 Data: <8j(y            > 38 6A 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021579286700, 16 bytes long.
 Data: < j(y            > 10 6A 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021579285C60, 16 bytes long.
 Data: <&#232;i(y            > E8 69 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215792862A0, 16 bytes long.
 Data: <&#192;i(y            > C0 69 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215792865C0, 16 bytes long.
 Data: <@O(y            > 40 4F 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021579284F40, 40 bytes long.
 Data: <&#192;e(y    &#176;H&#249;z    > C0 65 28 79 15 02 00 00 B0 48 F9 7A 15 02 00 00 
{264} normal block at 0x00000215792861B0, 16 bytes long.
 Data: <&#160;i(y            > A0 69 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215792863E0, 16 bytes long.
 Data: <xi(y            > 78 69 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002157927F190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000021579286200, 16 bytes long.
 Data: <Pi(y            > 50 69 28 79 15 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021579286950, 992 bytes long.
 Data: < b(y     &#241;'y    > 00 62 28 79 15 02 00 00 90 F1 27 79 15 02 00 00 
{96} normal block at 0x000002157927FD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002157927D530, 16 bytes long.
 Data: <&#224;&#232;&y            > E0 E8 26 79 15 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002157926E8E0, 40 bytes long.
 Data: <0&#213;'y    0&#253;'y    > 30 D5 27 79 15 02 00 00 30 FD 27 79 15 02 00 00 
{73} normal block at 0x000002157927E430, 16 bytes long.
 Data: < &#234; 7&#246;           > 80 EA 1A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002157927D9E0, 16 bytes long.
 Data: <@&#233; 7&#246;           > 40 E9 1A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002157927D6C0, 16 bytes long.
 Data: <&#248;W 7&#246;           > F8 57 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002157927DB20, 16 bytes long.
 Data: <&#216;W 7&#246;           > D8 57 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002157927D940, 16 bytes long.
 Data: <P  7&#246;           > 50 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002157927E1B0, 16 bytes long.
 Data: <0  7&#246;           > 30 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002157927DF80, 16 bytes long.
 Data: <&#224;  7&#246;           > E0 02 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002157927D8F0, 16 bytes long.
 Data: <   7&#246;           > 10 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002157927DDF0, 16 bytes long.
 Data: <p  7&#246;           > 70 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002157927E3E0, 16 bytes long.
 Data: < &#192; 7&#246;           > 18 C0 15 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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