Task 38687373

Name test_117-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND9487_1
Workunit 31628438
Created 28 Oct 2026, 7:28:11 UTC
Sent 28 Oct 2026, 7:28:16 UTC
Report deadline 2 Nov 2026, 7:28:16 UTC
Received 28 Oct 2026, 8:10:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646373
Run time 30 min 12 sec
CPU time 28 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.91 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:39:41 (15968): wrapper (7.9.26016): starting
03:39:41 (15968): 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
03:39:42 (15968): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:39:42 (15968): 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
04:10:07 (15968): C:/Windows/system32/cmd.exe exited; CPU time 1699.531250
04:10:07 (15968): 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: 26869467 bytes.
Dumping objects ->
{3835514} normal block at 0x000001C72FFA4A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001C72FFA4840, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000001C72FFA47D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835481} normal block at 0x000001C72FFA46F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000001C72FFA4680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835439} normal block at 0x000001C731C79BC0, 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) : {3835426} normal block at 0x000001C72FF9ED60, 8 bytes long.
 Data: <  W0&#199;   > 00 00 57 30 C7 01 00 00 
{3833959} normal block at 0x000001C72FF9F350, 8 bytes long.
 Data: < F&#205;1&#199;   > 20 46 CD 31 C7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C72FFA1140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C72FF96620, 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 0x000001C72FFA58D0, 16 bytes long.
 Data: < d&#250;/&#199;           > 88 64 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C72FFA56A0, 16 bytes long.
 Data: <`d&#250;/&#199;           > 60 64 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C72FF9FBD0, 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 0x000001C72FFA60F0, 16 bytes long.
 Data: <8d&#250;/&#199;           > 38 64 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C72FFA54C0, 16 bytes long.
 Data: < d&#250;/&#199;           > 10 64 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C72FFA5B50, 16 bytes long.
 Data: <&#232;c&#250;/&#199;           > E8 63 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C72FFA5510, 16 bytes long.
 Data: <&#192;c&#250;/&#199;           > C0 63 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C72FFA4450, 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 0x000001C72FFA5380, 16 bytes long.
 Data: <&#248; &#249;/&#199;           > F8 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C72FF9FF30, 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 0x000001C72FFA59C0, 16 bytes long.
 Data: <&#208; &#249;/&#199;           > D0 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C72FFA5FB0, 16 bytes long.
 Data: <&#168; &#249;/&#199;           > A8 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C72FFA5740, 16 bytes long.
 Data: <  &#249;/&#199;           > 80 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C72FFA5600, 16 bytes long.
 Data: <X &#249;/&#199;           > 58 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C72FFA55B0, 16 bytes long.
 Data: <0 &#249;/&#199;           > 30 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C72FFA5560, 16 bytes long.
 Data: <  &#249;/&#199;           > 08 8D F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C72FF9F810, 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 0x000001C72FFA5C40, 16 bytes long.
 Data: <&#224;&#140;&#249;/&#199;           > E0 8C F9 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C72FF98CE0, 320 bytes long.
 Data: <@\&#250;/&#199;    &#248;&#249;/&#199;   > 40 5C FA 2F C7 01 00 00 10 F8 F9 2F C7 01 00 00 
{275} normal block at 0x000001C72FFA5CE0, 16 bytes long.
 Data: <&#160;c&#250;/&#199;           > A0 63 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C72FFA5BF0, 16 bytes long.
 Data: <xc&#250;/&#199;           > 78 63 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C72FF9F690, 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 0x000001C72FFA5F10, 16 bytes long.
 Data: <Pc&#250;/&#199;           > 50 63 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C72FF9FAB0, 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 0x000001C72FFA5AB0, 16 bytes long.
 Data: < b&#250;/&#199;           > 98 62 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C72FFA5830, 16 bytes long.
 Data: <pb&#250;/&#199;           > 70 62 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C72FFA57E0, 16 bytes long.
 Data: <Hb&#250;/&#199;           > 48 62 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C72FFA5F60, 16 bytes long.
 Data: < b&#250;/&#199;           > 20 62 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C72FFA5420, 16 bytes long.
 Data: <&#248;a&#250;/&#199;           > F8 61 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C72FFA52E0, 16 bytes long.
 Data: <&#208;a&#250;/&#199;           > D0 61 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C72FFA5470, 16 bytes long.
 Data: < F&#250;/&#199;           > 10 46 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C72FFA4610, 40 bytes long.
 Data: <pT&#250;/&#199;   &#192;&#155;&#199;1&#199;   > 70 54 FA 2F C7 01 00 00 C0 9B C7 31 C7 01 00 00 
{261} normal block at 0x000001C72FFA5650, 16 bytes long.
 Data: <&#176;a&#250;/&#199;           > B0 61 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C72FFA5A60, 16 bytes long.
 Data: < a&#250;/&#199;           > 88 61 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C72FFA02F0, 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 0x000001C72FFA5E70, 16 bytes long.
 Data: <`a&#250;/&#199;           > 60 61 FA 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C72FFA6160, 992 bytes long.
 Data: <p^&#250;/&#199;   &#240; &#250;/&#199;   > 70 5E FA 2F C7 01 00 00 F0 02 FA 2F C7 01 00 00 
{93} normal block at 0x000001C72FF9F570, 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 0x000001C72FF9EDB0, 16 bytes long.
 Data: <&#160;&#238;&#248;/&#199;           > A0 EE F8 2F C7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C72FF8EEA0, 40 bytes long.
 Data: <&#176;&#237;&#249;/&#199;   p&#245;&#249;/&#199;   > B0 ED F9 2F C7 01 00 00 70 F5 F9 2F C7 01 00 00 
{70} normal block at 0x000001C72FF9E950, 16 bytes long.
 Data: < &#234; &#139;&#246;           > 80 EA 11 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C72FF9F170, 16 bytes long.
 Data: <@&#233; &#139;&#246;           > 40 E9 11 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C72FF9E8B0, 16 bytes long.
 Data: <&#248;W &#139;&#246;           > F8 57 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C72FF9E770, 16 bytes long.
 Data: <&#216;W &#139;&#246;           > D8 57 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C72FF9E6D0, 16 bytes long.
 Data: <P  &#139;&#246;           > 50 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C72FF9E900, 16 bytes long.
 Data: <0  &#139;&#246;           > 30 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C72FF9EF90, 16 bytes long.
 Data: <&#224;  &#139;&#246;           > E0 02 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C72FF9EEF0, 16 bytes long.
 Data: <   &#139;&#246;           > 10 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C72FF9E720, 16 bytes long.
 Data: <p  &#139;&#246;           > 70 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C72FF9EA90, 16 bytes long.
 Data: < &#192; &#139;&#246;           > 18 C0 0C 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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