Task 38682652

Name test_243-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4623_0
Workunit 31624250
Created 27 Oct 2026, 8:32:43 UTC
Sent 27 Oct 2026, 8:32:55 UTC
Report deadline 1 Nov 2026, 8:32:55 UTC
Received 27 Oct 2026, 10:44:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 54 min 45 sec
CPU time 48 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 495.17 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>
03:50:37 (33852): wrapper (7.9.26016): starting
03:50:37 (33852): 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
03:51:16 (33852): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:51:16 (33852): 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\13\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\13\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
04:43:25 (33852): C:/Windows/system32/cmd.exe exited; CPU time 2917.187500
04:43:25 (33852): 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: 70549851 bytes.
Dumping objects ->
{3835490} normal block at 0x0000020C43F690A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000020C43F68C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000020C43F68BD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x0000020C43F68FC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000020C43F68F50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x0000020C45D5C8D0, 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) : {3835402} normal block at 0x0000020C43F308E0, 8 bytes long.
 Data: <  AD    > 00 00 41 44 0C 02 00 00 
{3833961} normal block at 0x0000020C43F30B60, 8 bytes long.
 Data: <&#192;z&#219;E    > C0 7A DB 45 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020C43F2D030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020C43F266B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020C43F69970, 16 bytes long.
 Data: <x&#165;&#246;C            > 78 A5 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020C43F693D0, 16 bytes long.
 Data: <P&#165;&#246;C            > 50 A5 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C43F644F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020C43F696F0, 16 bytes long.
 Data: <(&#165;&#246;C            > 28 A5 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C43F6A050, 16 bytes long.
 Data: < &#165;&#246;C            > 00 A5 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C43F69F60, 16 bytes long.
 Data: <&#216;&#164;&#246;C            > D8 A4 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C43F69BA0, 16 bytes long.
 Data: <&#176;&#164;&#246;C            > B0 A4 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C43F68D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020C43F6A000, 16 bytes long.
 Data: <X&#235;&#241;C            > 58 EB F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C43F64490, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020C43F69290, 16 bytes long.
 Data: <0&#235;&#241;C            > 30 EB F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C43F69920, 16 bytes long.
 Data: < &#235;&#241;C            > 08 EB F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C43F697E0, 16 bytes long.
 Data: <&#224;&#234;&#241;C            > E0 EA F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C43F69330, 16 bytes long.
 Data: <&#184;&#234;&#241;C            > B8 EA F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C43F69C90, 16 bytes long.
 Data: < &#234;&#241;C            > 90 EA F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C43F69DD0, 16 bytes long.
 Data: <h&#234;&#241;C            > 68 EA F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C43F646D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020C43F694C0, 16 bytes long.
 Data: <@&#234;&#241;C            > 40 EA F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C43F1EA40, 320 bytes long.
 Data: <&#192;&#148;&#246;C    &#208;F&#246;C    > C0 94 F6 43 0C 02 00 00 D0 46 F6 43 0C 02 00 00 
{276} normal block at 0x0000020C43F69F10, 16 bytes long.
 Data: < &#164;&#246;C            > 90 A4 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C43F69420, 16 bytes long.
 Data: <h&#164;&#246;C            > 68 A4 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C43F64310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020C43F69B00, 16 bytes long.
 Data: <@&#164;&#246;C            > 40 A4 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C43F63A10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020C43F698D0, 16 bytes long.
 Data: < &#163;&#246;C            > 88 A3 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C43F6A0F0, 16 bytes long.
 Data: <`&#163;&#246;C            > 60 A3 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C43F6A0A0, 16 bytes long.
 Data: <8&#163;&#246;C            > 38 A3 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C43F69BF0, 16 bytes long.
 Data: < &#163;&#246;C            > 10 A3 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C43F69A60, 16 bytes long.
 Data: <&#232;&#162;&#246;C            > E8 A2 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C43F69560, 16 bytes long.
 Data: <&#192;&#162;&#246;C            > C0 A2 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C43F69C40, 16 bytes long.
 Data: < &#145;&#246;C            > 80 91 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C43F69180, 40 bytes long.
 Data: <@&#156;&#246;C    &#208;&#200;&#213;E    > 40 9C F6 43 0C 02 00 00 D0 C8 D5 45 0C 02 00 00 
{262} normal block at 0x0000020C43F69600, 16 bytes long.
 Data: <&#160;&#162;&#246;C            > A0 A2 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C43F69790, 16 bytes long.
 Data: <x&#162;&#246;C            > 78 A2 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C43F63B90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020C43F699C0, 16 bytes long.
 Data: <P&#162;&#246;C            > 50 A2 F6 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C43F6A250, 992 bytes long.
 Data: <&#192; &#246;C     ;&#246;C    > C0 99 F6 43 0C 02 00 00 90 3B F6 43 0C 02 00 00 
{94} normal block at 0x0000020C43F64250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020C43F30CF0, 16 bytes long.
 Data: <&#208;&#217;&#241;C            > D0 D9 F1 43 0C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020C43F1D9D0, 40 bytes long.
 Data: <&#240; &#243;C    PB&#246;C    > F0 0C F3 43 0C 02 00 00 50 42 F6 43 0C 02 00 00 
{71} normal block at 0x0000020C43F306B0, 16 bytes long.
 Data: < &#234; &#207;&#246;           > 80 EA 0C CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020C43F30B10, 16 bytes long.
 Data: <@&#233; &#207;&#246;           > 40 E9 0C CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C43F2FEE0, 16 bytes long.
 Data: <&#248;W	&#207;&#246;           > F8 57 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C43F30520, 16 bytes long.
 Data: <&#216;W	&#207;&#246;           > D8 57 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C43F30CA0, 16 bytes long.
 Data: <P 	&#207;&#246;           > 50 04 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C43F30160, 16 bytes long.
 Data: <0 	&#207;&#246;           > 30 04 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C43F301B0, 16 bytes long.
 Data: <&#224; 	&#207;&#246;           > E0 02 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C43F2FE90, 16 bytes long.
 Data: <  	&#207;&#246;           > 10 04 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C43F2FE40, 16 bytes long.
 Data: <p 	&#207;&#246;           > 70 04 09 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C43F30C00, 16 bytes long.
 Data: < &#192; &#207;&#246;           > 18 C0 07 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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