Task 38685143

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6570_0
Workunit 31626626
Created 27 Oct 2026, 19:38:47 UTC
Sent 27 Oct 2026, 19:38:52 UTC
Report deadline 1 Nov 2026, 19:38:52 UTC
Received 27 Oct 2026, 20:05:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637164
Run time 25 min 49 sec
CPU time 24 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 797.01 MB
Peak swap size 25.13 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:40:03 (42824): wrapper (7.9.26016): starting
14:40:03 (42824): 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
14:40:05 (42824): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:40:05 (42824): 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\127\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\127\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
15:04:48 (42824): C:/Windows/system32/cmd.exe exited; CPU time 1494.859375
15:04:48 (42824): 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: 41535587 bytes.
Dumping objects ->
{3835321} normal block at 0x0000021DB9705BF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x0000021DB9706210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x0000021DB97062F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835288} normal block at 0x0000021DB9706280, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x0000021DB9705A30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835246} normal block at 0x0000021DB970CD00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000021DB976F020, 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) : {3835232} normal block at 0x0000021DB787FC10, 8 bytes long.
 Data: <  ~&#183;    > 00 00 7E B7 1D 02 00 00 
{3834580} normal block at 0x0000021DB976E730, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000021DB7880020, 8 bytes long.
 Data: <&#176;R{&#185;    > B0 52 7B B9 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021DB7876500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021DB7877D90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021DB7886420, 16 bytes long.
 Data: <Hi &#183;            > 48 69 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021DB7886150, 16 bytes long.
 Data: < i &#183;            > 20 69 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021DB7881800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000021DB7885F20, 16 bytes long.
 Data: <&#248;h &#183;            > F8 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021DB78859D0, 16 bytes long.
 Data: <&#208;h &#183;            > D0 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021DB78857A0, 16 bytes long.
 Data: <&#168;h &#183;            > A8 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021DB7885DE0, 16 bytes long.
 Data: < h &#183;            > 80 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021DB7883A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021DB78856B0, 16 bytes long.
 Data: <x&#250;&#134;&#183;            > 78 FA 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021DB7881680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021DB7885E30, 16 bytes long.
 Data: <P&#250;&#134;&#183;            > 50 FA 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021DB7885C00, 16 bytes long.
 Data: <(&#250;&#134;&#183;            > 28 FA 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021DB78861A0, 16 bytes long.
 Data: < &#250;&#134;&#183;            > 00 FA 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021DB7885A70, 16 bytes long.
 Data: <&#216;&#249;&#134;&#183;            > D8 F9 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021DB7886290, 16 bytes long.
 Data: <&#176;&#249;&#134;&#183;            > B0 F9 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021DB7885750, 16 bytes long.
 Data: < &#249;&#134;&#183;            > 88 F9 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021DB7881500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021DB7885B10, 16 bytes long.
 Data: <`&#249;&#134;&#183;            > 60 F9 86 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021DB786F960, 320 bytes long.
 Data: < [ &#183;       &#183;    > 10 5B 88 B7 1D 02 00 00 00 15 88 B7 1D 02 00 00 
{277} normal block at 0x0000021DB7886240, 16 bytes long.
 Data: <`h &#183;            > 60 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021DB78860B0, 16 bytes long.
 Data: <8h &#183;            > 38 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021DB7880CC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021DB7885BB0, 16 bytes long.
 Data: < h &#183;            > 10 68 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021DB7881140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000021DB78861F0, 16 bytes long.
 Data: <Xg &#183;            > 58 67 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021DB7885890, 16 bytes long.
 Data: <0g &#183;            > 30 67 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021DB7885700, 16 bytes long.
 Data: < g &#183;            > 08 67 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021DB7886100, 16 bytes long.
 Data: <&#224;f &#183;            > E0 66 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021DB7885980, 16 bytes long.
 Data: <&#184;f &#183;            > B8 66 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021DB7886010, 16 bytes long.
 Data: < f &#183;            > 90 66 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021DB78864C0, 16 bytes long.
 Data: < : &#183;            > 80 3A 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021DB7883A80, 40 bytes long.
 Data: <&#192;d &#183;     &#205;p&#185;    > C0 64 88 B7 1D 02 00 00 00 CD 70 B9 1D 02 00 00 
{263} normal block at 0x0000021DB7885C50, 16 bytes long.
 Data: <pf &#183;            > 70 66 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021DB7885AC0, 16 bytes long.
 Data: <Hf &#183;            > 48 66 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021DB7880A20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021DB7885B60, 16 bytes long.
 Data: < f &#183;            > 20 66 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021DB7886620, 992 bytes long.
 Data: <`[ &#183;       &#183;    > 60 5B 88 B7 1D 02 00 00 20 0A 88 B7 1D 02 00 00 
{95} normal block at 0x0000021DB78812C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000021DB787FE40, 16 bytes long.
 Data: < = &#183;            > 20 3D 88 B7 1D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021DB7883D20, 40 bytes long.
 Data: <@&#254;&#135;&#183;    &#192;  &#183;    > 40 FE 87 B7 1D 02 00 00 C0 12 88 B7 1D 02 00 00 
{72} normal block at 0x0000021DB7880660, 16 bytes long.
 Data: < &#234;&#215;t&#246;           > 80 EA D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021DB787FDF0, 16 bytes long.
 Data: <@&#233;&#215;t&#246;           > 40 E9 D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021DB7880200, 16 bytes long.
 Data: <&#248;W&#212;t&#246;           > F8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021DB787F9E0, 16 bytes long.
 Data: <&#216;W&#212;t&#246;           > D8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021DB787FB70, 16 bytes long.
 Data: <P &#212;t&#246;           > 50 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021DB78805C0, 16 bytes long.
 Data: <0 &#212;t&#246;           > 30 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021DB787FDA0, 16 bytes long.
 Data: <&#224; &#212;t&#246;           > E0 02 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021DB78802F0, 16 bytes long.
 Data: <  &#212;t&#246;           > 10 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021DB7880700, 16 bytes long.
 Data: <p &#212;t&#246;           > 70 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021DB7880480, 16 bytes long.
 Data: < &#192;&#210;t&#246;           > 18 C0 D2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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