Task 38666655

Name test_451-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7452_1
Workunit 31609425
Created 25 Oct 2026, 4:16:14 UTC
Sent 25 Oct 2026, 4:26:58 UTC
Report deadline 30 Oct 2026, 4:26:58 UTC
Received 25 Oct 2026, 4:58:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652430
Run time 25 min 6 sec
CPU time 24 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.51 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:33:42 (29668): wrapper (7.9.26016): starting
23:33:42 (29668): 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
23:33:43 (29668): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:33:43 (29668): 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
23:58:15 (29668): C:/Windows/system32/cmd.exe exited; CPU time 1440.640625
23:58:15 (29668): 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: 26932787 bytes.
Dumping objects ->
{3835197} normal block at 0x0000025BB09325E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000025BB09326C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000025BB0932340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000025BB0931BD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000025BB0932420, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x0000025BB09DD180, 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) : {3835109} normal block at 0x0000025BAED0F050, 8 bytes long.
 Data: <   &#175;[   > 00 00 1D AF 5B 02 00 00 
{3833959} normal block at 0x0000025BAED0EB00, 8 bytes long.
 Data: <&#192;8&#168;&#176;[   > C0 38 A8 B0 5B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025BAED10990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025BAED05F00, 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 0x0000025BAED15FE0, 16 bytes long.
 Data: <&#200;V&#209;&#174;[           > C8 56 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025BAED162B0, 16 bytes long.
 Data: <&#160;V&#209;&#174;[           > A0 56 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025BAED0FFA0, 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 0x0000025BAED15950, 16 bytes long.
 Data: <xV&#209;&#174;[           > 78 56 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025BAED165D0, 16 bytes long.
 Data: <PV&#209;&#174;[           > 50 56 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025BAED16120, 16 bytes long.
 Data: <(V&#209;&#174;[           > 28 56 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025BAED15A40, 16 bytes long.
 Data: < V&#209;&#174;[           > 00 56 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025BAED139E0, 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 0x0000025BAED15BD0, 16 bytes long.
 Data: <&#200; &#208;&#174;[           > C8 8F D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025BAED10600, 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 0x0000025BAED16260, 16 bytes long.
 Data: <&#160; &#208;&#174;[           > A0 8F D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025BAED166C0, 16 bytes long.
 Data: <x &#208;&#174;[           > 78 8F D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025BAED15900, 16 bytes long.
 Data: <P &#208;&#174;[           > 50 8F D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025BAED158B0, 16 bytes long.
 Data: <( &#208;&#174;[           > 28 8F D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025BAED16530, 16 bytes long.
 Data: <  &#208;&#174;[           > 00 8F D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025BAED15A90, 16 bytes long.
 Data: <&#216;&#142;&#208;&#174;[           > D8 8E D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025BAED101E0, 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 0x0000025BAED15C70, 16 bytes long.
 Data: <&#176;&#142;&#208;&#174;[           > B0 8E D0 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025BAED08EB0, 320 bytes long.
 Data: <p\&#209;&#174;[   &#224; &#209;&#174;[   > 70 5C D1 AE 5B 02 00 00 E0 01 D1 AE 5B 02 00 00 
{275} normal block at 0x0000025BAED15D60, 16 bytes long.
 Data: <&#224;U&#209;&#174;[           > E0 55 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025BAED16210, 16 bytes long.
 Data: <&#184;U&#209;&#174;[           > B8 55 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025BAED0F820, 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 0x0000025BAED163F0, 16 bytes long.
 Data: < U&#209;&#174;[           > 90 55 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025BAED0F7C0, 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 0x0000025BAED15AE0, 16 bytes long.
 Data: <&#216;T&#209;&#174;[           > D8 54 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025BAED15D10, 16 bytes long.
 Data: <&#176;T&#209;&#174;[           > B0 54 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025BAED159A0, 16 bytes long.
 Data: < T&#209;&#174;[           > 88 54 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025BAED160D0, 16 bytes long.
 Data: <`T&#209;&#174;[           > 60 54 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025BAED15860, 16 bytes long.
 Data: <8T&#209;&#174;[           > 38 54 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025BAED0ED80, 16 bytes long.
 Data: < T&#209;&#174;[           > 10 54 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025BAED0F550, 16 bytes long.
 Data: <&#160;;&#209;&#174;[           > A0 3B D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025BAED13BA0, 40 bytes long.
 Data: <P&#245;&#208;&#174;[    &#209; &#176;[   > 50 F5 D0 AE 5B 02 00 00 80 D1 9D B0 5B 02 00 00 
{261} normal block at 0x0000025BAED0F460, 16 bytes long.
 Data: <&#240;S&#209;&#174;[           > F0 53 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025BAED0F410, 16 bytes long.
 Data: <&#200;S&#209;&#174;[           > C8 53 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025BAED0F940, 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 0x0000025BAED0F320, 16 bytes long.
 Data: <&#160;S&#209;&#174;[           > A0 53 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025BAED153A0, 992 bytes long.
 Data: < &#243;&#208;&#174;[   @&#249;&#208;&#174;[   > 20 F3 D0 AE 5B 02 00 00 40 F9 D0 AE 5B 02 00 00 
{93} normal block at 0x0000025BAED10240, 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 0x0000025BAED0EFB0, 16 bytes long.
 Data: <@7&#209;&#174;[           > 40 37 D1 AE 5B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025BAED13740, 40 bytes long.
 Data: <&#176;&#239;&#208;&#174;[   @ &#209;&#174;[   > B0 EF D0 AE 5B 02 00 00 40 02 D1 AE 5B 02 00 00 
{70} normal block at 0x0000025BAED0F140, 16 bytes long.
 Data: < &#234;w&#222;&#246;           > 80 EA 77 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025BAED0E8D0, 16 bytes long.
 Data: <@&#233;w&#222;&#246;           > 40 E9 77 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025BAED0EF10, 16 bytes long.
 Data: <&#248;Wt&#222;&#246;           > F8 57 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025BAED0EB50, 16 bytes long.
 Data: <&#216;Wt&#222;&#246;           > D8 57 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025BAED0F190, 16 bytes long.
 Data: <P t&#222;&#246;           > 50 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025BAED0F0F0, 16 bytes long.
 Data: <0 t&#222;&#246;           > 30 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025BAED0E6F0, 16 bytes long.
 Data: <&#224; t&#222;&#246;           > E0 02 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025BAED0E9C0, 16 bytes long.
 Data: <  t&#222;&#246;           > 10 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025BAED0E970, 16 bytes long.
 Data: <p t&#222;&#246;           > 70 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025BAED0EDD0, 16 bytes long.
 Data: < &#192;r&#222;&#246;           > 18 C0 72 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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