Task 38679277

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4337_0
Workunit 31621059
Created 26 Oct 2026, 20:02:26 UTC
Sent 26 Oct 2026, 20:02:31 UTC
Report deadline 31 Oct 2026, 20:02:31 UTC
Received 26 Oct 2026, 21:12:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 45 min 7 sec
CPU time 41 min 8 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 698.27 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:28:18 (29428): wrapper (7.9.26016): starting
15:28:18 (29428): 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
15:28:35 (29428): Library/usr/bin/tar.exe exited; CPU time 0.203125
15:28:35 (29428): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
16:11:35 (29428): C:/Windows/system32/cmd.exe exited; CPU time 2468.515625
16:11:35 (29428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 55362664 bytes.
Dumping objects ->
{3835291} normal block at 0x0000021FBC840A00, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835280} normal block at 0x0000021FBC985AA0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835269} normal block at 0x0000021FBC985A40, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835258} normal block at 0x0000021FBC985260, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835247} normal block at 0x0000021FBC984EA0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x0000021FBC840920, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835205} normal block at 0x0000021FBC8EDB50, 85 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) : {3835202} normal block at 0x0000021FBAC47330, 8 bytes long.
 Data: <  i&#188;    > 00 00 69 BC 1F 02 00 00 
{3834574} normal block at 0x0000021FBC8EDFB0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000021FBAC477E0, 8 bytes long.
 Data: <Pz&#148;&#188;    > 50 7A 94 BC 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021FBAC50910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021FBAC4D490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000021FBAC51A90, 16 bytes long.
 Data: <X?&#197;&#186;            > 58 3F C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021FBAC523F0, 16 bytes long.
 Data: <0?&#197;&#186;            > 30 3F C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021FBAC4BAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000021FBAC52300, 16 bytes long.
 Data: < ?&#197;&#186;            > 08 3F C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021FBAC522B0, 16 bytes long.
 Data: <&#224;>&#197;&#186;            > E0 3E C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021FBAC52670, 16 bytes long.
 Data: <&#184;>&#197;&#186;            > B8 3E C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FBAC51CC0, 16 bytes long.
 Data: < >&#197;&#186;            > 90 3E C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FBAC4DCE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000021FBAC51A40, 16 bytes long.
 Data: <&#200;&#183;&#195;&#186;            > C8 B7 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FBAC4BA40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000021FBAC525D0, 16 bytes long.
 Data: <&#160;&#183;&#195;&#186;            > A0 B7 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021FBAC519F0, 16 bytes long.
 Data: <x&#183;&#195;&#186;            > 78 B7 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021FBAC51C70, 16 bytes long.
 Data: <P&#183;&#195;&#186;            > 50 B7 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FBAC518B0, 16 bytes long.
 Data: <(&#183;&#195;&#186;            > 28 B7 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021FBAC52080, 16 bytes long.
 Data: < &#183;&#195;&#186;            > 00 B7 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021FBAC52210, 16 bytes long.
 Data: <&#216;&#182;&#195;&#186;            > D8 B6 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FBAC4BD40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000021FBAC523A0, 16 bytes long.
 Data: <&#176;&#182;&#195;&#186;            > B0 B6 C3 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021FBAC3B6B0, 320 bytes long.
 Data: <&#160;#&#197;&#186;    @&#189;&#196;&#186;    > A0 23 C5 BA 1F 02 00 00 40 BD C4 BA 1F 02 00 00 
{278} normal block at 0x0000021FBAC52030, 16 bytes long.
 Data: <p>&#197;&#186;            > 70 3E C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021FBAC52490, 16 bytes long.
 Data: <H>&#197;&#186;            > 48 3E C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021FBAC4BB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000021FBAC52260, 16 bytes long.
 Data: < >&#197;&#186;            > 20 3E C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021FBAC4BB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000021FBAC51FE0, 16 bytes long.
 Data: <h=&#197;&#186;            > 68 3D C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021FBAC51C20, 16 bytes long.
 Data: <@=&#197;&#186;            > 40 3D C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021FBAC51F90, 16 bytes long.
 Data: < =&#197;&#186;            > 18 3D C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021FBAC52350, 16 bytes long.
 Data: <&#240;<&#197;&#186;            > F0 3C C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021FBAC51F40, 16 bytes long.
 Data: <&#200;<&#197;&#186;            > C8 3C C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021FBAC521C0, 16 bytes long.
 Data: <&#160;<&#197;&#186;            > A0 3C C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021FBAC51EF0, 16 bytes long.
 Data: < &#219;&#196;&#186;            > 90 DB C4 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021FBAC4DB90, 40 bytes long.
 Data: <&#240; &#197;&#186;     	&#132;&#188;    > F0 1E C5 BA 1F 02 00 00 20 09 84 BC 1F 02 00 00 
{264} normal block at 0x0000021FBAC526C0, 16 bytes long.
 Data: < <&#197;&#186;            > 80 3C C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021FBAC51D10, 16 bytes long.
 Data: <X<&#197;&#186;            > 58 3C C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021FBAC4C280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000021FBAC52620, 16 bytes long.
 Data: <0<&#197;&#186;            > 30 3C C5 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021FBAC53C30, 992 bytes long.
 Data: < &&#197;&#186;     &#194;&#196;&#186;    > 20 26 C5 BA 1F 02 00 00 80 C2 C4 BA 1F 02 00 00 
{96} normal block at 0x0000021FBAC4C400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000021FBAC46E30, 16 bytes long.
 Data: < &#220;&#196;&#186;            > 00 DC C4 BA 1F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021FBAC4DC00, 40 bytes long.
 Data: <0n&#196;&#186;     &#196;&#196;&#186;    > 30 6E C4 BA 1F 02 00 00 00 C4 C4 BA 1F 02 00 00 
{73} normal block at 0x0000021FBAC47420, 16 bytes long.
 Data: < &#234;&#210;&#150;&#246;           > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021FBAC472E0, 16 bytes long.
 Data: <@&#233;&#210;&#150;&#246;           > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021FBAC47290, 16 bytes long.
 Data: <&#248;W&#207;&#150;&#246;           > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021FBAC46FC0, 16 bytes long.
 Data: <&#216;W&#207;&#150;&#246;           > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021FBAC46F20, 16 bytes long.
 Data: <P &#207;&#150;&#246;           > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021FBAC46BB0, 16 bytes long.
 Data: <0 &#207;&#150;&#246;           > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021FBAC46CF0, 16 bytes long.
 Data: <&#224; &#207;&#150;&#246;           > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021FBAC47920, 16 bytes long.
 Data: <  &#207;&#150;&#246;           > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021FBAC47240, 16 bytes long.
 Data: <p &#207;&#150;&#246;           > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FBAC46F70, 16 bytes long.
 Data: < &#192;&#205;&#150;&#246;           > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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