Task 38673414

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0684_1
Workunit 31615479
Created 26 Oct 2026, 2:19:58 UTC
Sent 26 Oct 2026, 2:20:07 UTC
Report deadline 31 Oct 2026, 2:20:07 UTC
Received 26 Oct 2026, 4:01:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 56 sec
CPU time 31 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.86 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:28:29 (31768): wrapper (7.9.26016): starting
23:28:29 (31768): 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
23:28:30 (31768): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:28:30 (31768): 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\2\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\2\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
00:00:47 (31768): C:/Windows/system32/cmd.exe exited; CPU time 1873.046875
00:00:47 (31768): 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: 40042465 bytes.
Dumping objects ->
{3835478} normal block at 0x00000280D1B47F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x00000280D1B485F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000280D1B47EF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x00000280CFE444B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x00000280CFE44BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x00000280D1B53B30, 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) : {3835390} normal block at 0x00000280CFE40680, 8 bytes long.
 Data: <  &#221;&#207;    > 00 00 DD CF 80 02 00 00 
{3833961} normal block at 0x00000280CFE40D60, 8 bytes long.
 Data: < &#235;&#241;&#207;    > 80 EB F1 CF 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000280CFE371C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000280CFE2EDD0, 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 0x00000280CFE460C0, 16 bytes long.
 Data: < S&#228;&#207;            > 98 53 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000280CFE45800, 16 bytes long.
 Data: <pS&#228;&#207;            > 70 53 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000280CFE3FBE0, 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 0x00000280CFE458F0, 16 bytes long.
 Data: <HS&#228;&#207;            > 48 53 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000280CFE45BC0, 16 bytes long.
 Data: < S&#228;&#207;            > 20 53 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000280CFE459E0, 16 bytes long.
 Data: <&#248;R&#228;&#207;            > F8 52 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000280CFE46110, 16 bytes long.
 Data: <&#208;R&#228;&#207;            > D0 52 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000280CFE446E0, 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 0x00000280CFE45E40, 16 bytes long.
 Data: <&#248;&#156;&#227;&#207;            > F8 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000280CFE3F820, 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 0x00000280CFE454E0, 16 bytes long.
 Data: <&#208;&#156;&#227;&#207;            > D0 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000280CFE46070, 16 bytes long.
 Data: <&#168;&#156;&#227;&#207;            > A8 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000280CFE45C10, 16 bytes long.
 Data: < &#156;&#227;&#207;            > 80 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000280CFE45E90, 16 bytes long.
 Data: <X&#156;&#227;&#207;            > 58 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000280CFE45A30, 16 bytes long.
 Data: <0&#156;&#227;&#207;            > 30 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000280CFE46020, 16 bytes long.
 Data: < &#156;&#227;&#207;            > 08 9C E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000280CFE3FF40, 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 0x00000280CFE45D50, 16 bytes long.
 Data: <&#224;&#155;&#227;&#207;            > E0 9B E3 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000280CFE39BE0, 320 bytes long.
 Data: <P]&#228;&#207;    @&#255;&#227;&#207;    > 50 5D E4 CF 80 02 00 00 40 FF E3 CF 80 02 00 00 
{276} normal block at 0x00000280CFE45A80, 16 bytes long.
 Data: <&#176;R&#228;&#207;            > B0 52 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000280CFE45DF0, 16 bytes long.
 Data: < R&#228;&#207;            > 88 52 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000280CFE402A0, 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 0x00000280CFE45530, 16 bytes long.
 Data: <`R&#228;&#207;            > 60 52 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000280CFE3FE20, 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 0x00000280CFE458A0, 16 bytes long.
 Data: <&#168;Q&#228;&#207;            > A8 51 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000280CFE455D0, 16 bytes long.
 Data: < Q&#228;&#207;            > 80 51 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000280CFE45620, 16 bytes long.
 Data: <XQ&#228;&#207;            > 58 51 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000280CFE45990, 16 bytes long.
 Data: <0Q&#228;&#207;            > 30 51 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000280CFE45DA0, 16 bytes long.
 Data: < Q&#228;&#207;            > 08 51 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000280CFE41300, 16 bytes long.
 Data: <&#224;P&#228;&#207;            > E0 50 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000280CFE412B0, 16 bytes long.
 Data: <PG&#228;&#207;            > 50 47 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000280CFE44750, 40 bytes long.
 Data: <&#176; &#228;&#207;    0;&#181;&#209;    > B0 12 E4 CF 80 02 00 00 30 3B B5 D1 80 02 00 00 
{262} normal block at 0x00000280CFE411C0, 16 bytes long.
 Data: <&#192;P&#228;&#207;            > C0 50 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000280CFE41120, 16 bytes long.
 Data: < P&#228;&#207;            > 98 50 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000280CFE403C0, 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 0x00000280CFE40720, 16 bytes long.
 Data: <pP&#228;&#207;            > 70 50 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000280CFE45070, 992 bytes long.
 Data: <  &#228;&#207;    &#192; &#228;&#207;    > 20 07 E4 CF 80 02 00 00 C0 03 E4 CF 80 02 00 00 
{94} normal block at 0x00000280CFE40240, 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 0x00000280CFE41440, 16 bytes long.
 Data: < E&#228;&#207;            > 90 45 E4 CF 80 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000280CFE44590, 40 bytes long.
 Data: <@ &#228;&#207;    @ &#228;&#207;    > 40 14 E4 CF 80 02 00 00 40 02 E4 CF 80 02 00 00 
{71} normal block at 0x00000280CFE40B80, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000280CFE41080, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000280CFE40860, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000280CFE40A90, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000280CFE40900, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000280CFE40C20, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000280CFE40A40, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000280CFE41170, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000280CFE40AE0, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000280CFE40EA0, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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