Task 38694276

Name test_471-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9150_0
Workunit 31635033
Created 30 Oct 2026, 20:11:09 UTC
Sent 30 Oct 2026, 20:11:16 UTC
Report deadline 4 Nov 2026, 20:11:16 UTC
Received 30 Oct 2026, 20:48:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593616
Run time 35 min 20 sec
CPU time 32 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.94 MB
Peak swap size 6.91 GB
Peak disk usage 3.53 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:13:39 (70696): wrapper (7.9.26016): starting
05:13:39 (70696): 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
05:13:41 (70696): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:13:41 (70696): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' &#130;&#205;&#129;A&#147;&#224;&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#130;&#220;&#130;&#189;&#130;&#205;&#138;O&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#129;A
&#145;&#128;&#141;&#236;&#137;&#194;&#148;\&#130;&#200;&#131;v&#131;&#141;&#131;O&#131;&#137;&#131;&#128;&#130;&#220;&#130;&#189;&#130;&#205;&#131;o&#131;b&#131;` &#131;t&#131;@&#131;C&#131;&#139;&#130;&#198;&#130;&#181;&#130;&#196;&#148;F&#142;&#175;&#130;&#179;&#130;&#234;&#130;&#196;&#130;&#162;&#130;&#220;&#130;&#185;&#130;&#241;&#129;B
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\15\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:\ProgramData\BOINC\slots\15\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
05:48:18 (70696): C:/Windows/system32/cmd.exe exited; CPU time 1928.984375
05:48:18 (70696): 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: 39050473 bytes.
Dumping objects ->
{3835329} normal block at 0x000002166B351480, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x000002166B351330, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000002166B351020, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x000002166B351090, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000002166B351410, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x000002166B7BA000, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835241} normal block at 0x00000216698DE4E0, 8 bytes long.
 Data: <   i    > 00 00 8B 69 16 02 00 00 
{3834077} normal block at 0x00000216698DDAE0, 8 bytes long.
 Data: <&#176;H k    > B0 48 81 6B 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000216698E2B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000216698D7080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000216698E6670, 16 bytes long.
 Data: < t i            > 08 74 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000216698E7070, 16 bytes long.
 Data: < s i            > E0 73 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000216698E08E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000216698E61C0, 16 bytes long.
 Data: <&#184;s i            > B8 73 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000216698E7020, 16 bytes long.
 Data: < s i            > 90 73 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000216698E6EE0, 16 bytes long.
 Data: <hs i            > 68 73 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000216698E6300, 16 bytes long.
 Data: <@s i            > 40 73 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000216698E1120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000216698E6E90, 16 bytes long.
 Data: <   i            > E8 98 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000216698E0700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000216698E6B70, 16 bytes long.
 Data: <&#192;  i            > C0 98 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000216698E6BC0, 16 bytes long.
 Data: <   i            > 98 98 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000216698E6940, 16 bytes long.
 Data: <p  i            > 70 98 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000216698E6170, 16 bytes long.
 Data: <H  i            > 48 98 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000216698E6E40, 16 bytes long.
 Data: <   i            > 20 98 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000216698E6440, 16 bytes long.
 Data: <   i            > F8 97 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000216698E0940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000216698E63F0, 16 bytes long.
 Data: <&#208;  i            > D0 97 8D 69 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000216698D97D0, 320 bytes long.
 Data: < c i    @	 i    > F0 63 8E 69 16 02 00 00 40 09 8E 69 16 02 00 00 
{281} normal block at 0x00000216698E6DF0, 16 bytes long.
 Data: < s i            > 20 73 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000216698E6DA0, 16 bytes long.
 Data: < r i            > F8 72 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000216698E0CA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000216698E6620, 16 bytes long.
 Data: <&#208;r i            > D0 72 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000216698E03A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000216698E6D00, 16 bytes long.
 Data: < r i            > 18 72 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000216698E6710, 16 bytes long.
 Data: < q i            > F0 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000216698E68A0, 16 bytes long.
 Data: <&#200;q i            > C8 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000216698E6F30, 16 bytes long.
 Data: < q i            > A0 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000216698E6120, 16 bytes long.
 Data: <xq i            > 78 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000216698E6CB0, 16 bytes long.
 Data: <Pq i            > 50 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000216698E6D50, 16 bytes long.
 Data: <`  i            > 60 0F 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000216698E0F60, 40 bytes long.
 Data: <Pm i      {k    > 50 6D 8E 69 16 02 00 00 00 A0 7B 6B 16 02 00 00 
{267} normal block at 0x00000216698E6F80, 16 bytes long.
 Data: <0q i            > 30 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000216698E65D0, 16 bytes long.
 Data: < q i            > 08 71 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000216698E0280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000216698E6C60, 16 bytes long.
 Data: < p i            > E0 70 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000216698E70E0, 992 bytes long.
 Data: <`l i       i    > 60 6C 8E 69 16 02 00 00 80 02 8E 69 16 02 00 00 
{99} normal block at 0x00000216698E05E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000216698DDCC0, 16 bytes long.
 Data: <   i            > 10 0E 8E 69 16 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000216698E0E10, 40 bytes long.
 Data: <&#192;&#220; i       i    > C0 DC 8D 69 16 02 00 00 E0 05 8E 69 16 02 00 00 
{74} normal block at 0x00000216698DDA90, 16 bytes long.
 Data: <                > 80 EA 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000216698DE0D0, 16 bytes long.
 Data: <@               > 40 E9 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000216698DE850, 16 bytes long.
 Data: < W              > F8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000216698DDB30, 16 bytes long.
 Data: <&#216;W              > D8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000216698DDA40, 16 bytes long.
 Data: <P               > 50 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000216698DE8F0, 16 bytes long.
 Data: <0               > 30 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000216698DE990, 16 bytes long.
 Data: <                > E0 02 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000216698DE8A0, 16 bytes long.
 Data: <                > 10 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000216698DDF40, 16 bytes long.
 Data: <p               > 70 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000216698DE710, 16 bytes long.
 Data: < &#192;              > 18 C0 81 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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