Task 38684329

Name test_989-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6001_0
Workunit 31625846
Created 27 Oct 2026, 15:51:05 UTC
Sent 27 Oct 2026, 15:51:08 UTC
Report deadline 1 Nov 2026, 15:51:08 UTC
Received 27 Oct 2026, 18:26:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 59 min 38 sec
CPU time 51 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.82 MB
Peak swap size 2.24 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:23:57 (12772): wrapper (7.9.26016): starting
20:23:57 (12772): 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
20:23:59 (12772): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:23:59 (12772): 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 'D:\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 'D:\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
21:21:44 (12772): C:/Windows/system32/cmd.exe exited; CPU time 3101.875000
21:21:44 (12772): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 54619365 bytes.
Dumping objects ->
{3835529} normal block at 0x000002D98E051280, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000002D98FB052F0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000002D98FB050B0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000002D98FB04F30, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000002D98FB04A50, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000002D98E051600, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000002D98E049880, 200 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) : {3835440} normal block at 0x000002D98E046D80, 8 bytes long.
 Data: <  &#251;&#141;&#217;   > 00 00 FB 8D D9 02 00 00 
{3834685} normal block at 0x000002D98E048780, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000002D98E046B50, 8 bytes long.
 Data: <PP&#181;&#143;&#217;   > 50 50 B5 8F D9 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002D98E051E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D98E035F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000002D98E053B50, 16 bytes long.
 Data: < ? &#142;&#217;           > 88 3F 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D98E0532E0, 16 bytes long.
 Data: <`? &#142;&#217;           > 60 3F 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D98E04C270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000002D98E053150, 16 bytes long.
 Data: <8? &#142;&#217;           > 38 3F 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D98E0530B0, 16 bytes long.
 Data: < ? &#142;&#217;           > 10 3F 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D98E053010, 16 bytes long.
 Data: <&#232;> &#142;&#217;           > E8 3E 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D98E052F70, 16 bytes long.
 Data: <&#192;> &#142;&#217;           > C0 3E 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D98E0512F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000002D98E053100, 16 bytes long.
 Data: <&#184;^ &#142;&#217;           > B8 5E 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D98E04B790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000002D98E052F20, 16 bytes long.
 Data: <&#144;^ &#142;&#217;           > 90 5E 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D98E052ED0, 16 bytes long.
 Data: <h^ &#142;&#217;           > 68 5E 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D98E053650, 16 bytes long.
 Data: <@^ &#142;&#217;           > 40 5E 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D98E052DE0, 16 bytes long.
 Data: < ^ &#142;&#217;           > 18 5E 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D98E053560, 16 bytes long.
 Data: <&#240;] &#142;&#217;           > F0 5D 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D98E0535B0, 16 bytes long.
 Data: <&#200;] &#142;&#217;           > C8 5D 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D98E04BF10, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x000002D98E053A10, 16 bytes long.
 Data: <&#160;] &#142;&#217;           > A0 5D 03 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D98E035DA0, 320 bytes long.
 Data: < : &#142;&#217;    &#191; &#142;&#217;   > 10 3A 05 8E D9 02 00 00 10 BF 04 8E D9 02 00 00 
{267} normal block at 0x000002D98E053510, 16 bytes long.
 Data: <&#160;> &#142;&#217;           > A0 3E 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D98E052E30, 16 bytes long.
 Data: <x> &#142;&#217;           > 78 3E 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D98E04C210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000002D98E0539C0, 16 bytes long.
 Data: <P> &#142;&#217;           > 50 3E 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D98E04B970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000002D98E052D40, 16 bytes long.
 Data: < = &#142;&#217;           > 98 3D 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D98E052CA0, 16 bytes long.
 Data: <p= &#142;&#217;           > 70 3D 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D98E0536F0, 16 bytes long.
 Data: <H= &#142;&#217;           > 48 3D 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D98E053060, 16 bytes long.
 Data: < = &#142;&#217;           > 20 3D 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D98E052FC0, 16 bytes long.
 Data: <&#248;< &#142;&#217;           > F8 3C 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D98E052E80, 16 bytes long.
 Data: <&#208;< &#142;&#217;           > D0 3C 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002D98E053920, 16 bytes long.
 Data: <P  &#142;&#217;           > 50 10 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002D98E051050, 40 bytes long.
 Data: < 9 &#142;&#217;      &#142;&#217;   > 20 39 05 8E D9 02 00 00 00 16 05 8E D9 02 00 00 
{253} normal block at 0x000002D98E053420, 16 bytes long.
 Data: <&#176;< &#142;&#217;           > B0 3C 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002D98E052CF0, 16 bytes long.
 Data: < < &#142;&#217;           > 88 3C 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002D98E04BEB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000002D98E053240, 16 bytes long.
 Data: <`< &#142;&#217;           > 60 3C 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002D98E053C60, 992 bytes long.
 Data: <@2 &#142;&#217;   &#176;&#190; &#142;&#217;   > 40 32 05 8E D9 02 00 00 B0 BE 04 8E D9 02 00 00 
{85} normal block at 0x000002D98E04BD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000002D98E047820, 16 bytes long.
 Data: <&#208;  &#142;&#217;           > D0 13 05 8E D9 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002D98E0513D0, 40 bytes long.
 Data: < x &#142;&#217;   0&#189; &#142;&#217;   > 20 78 04 8E D9 02 00 00 30 BD 04 8E D9 02 00 00 
{62} normal block at 0x000002D98E0471E0, 16 bytes long.
 Data: <&#128;&#234;&#241;&#226;&#246;           > 80 EA F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D98E0469C0, 16 bytes long.
 Data: <@&#233;&#241;&#226;&#246;           > 40 E9 F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D98E046970, 16 bytes long.
 Data: <&#248;W&#238;&#226;&#246;           > F8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D98E047690, 16 bytes long.
 Data: <&#216;W&#238;&#226;&#246;           > D8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D98E046BA0, 16 bytes long.
 Data: <P &#238;&#226;&#246;           > 50 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002D98E047640, 16 bytes long.
 Data: <0 &#238;&#226;&#246;           > 30 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002D98E0475F0, 16 bytes long.
 Data: <&#224; &#238;&#226;&#246;           > E0 02 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002D98E047500, 16 bytes long.
 Data: <  &#238;&#226;&#246;           > 10 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002D98E0476E0, 16 bytes long.
 Data: <p &#238;&#226;&#246;           > 70 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002D98E046BF0, 16 bytes long.
 Data: < &#192;&#236;&#226;&#246;           > 18 C0 EC E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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