Task 38666379

Name test_836-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7631_0
Workunit 31609318
Created 25 Oct 2026, 3:01:03 UTC
Sent 25 Oct 2026, 3:28:48 UTC
Report deadline 30 Oct 2026, 3:28:48 UTC
Received 25 Oct 2026, 5:48:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 45 min 11 sec
CPU time 40 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 820.27 MB
Peak swap size 9.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:05:14 (51684): wrapper (7.9.26016): starting
22:05:14 (51684): 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
22:05:16 (51684): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:05:16 (51684): 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\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 'C:\ProgramData\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
22:48:26 (51684): C:/Windows/system32/cmd.exe exited; CPU time 2455.703125
22:48:26 (51684): 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: 86130493 bytes.
Dumping objects ->
{3835516} normal block at 0x000002DC75718EF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000002DC75718D30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x000002DC75718320, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x000002DC73A56090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x000002DC73A55FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x000002DC756CC310, 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) : {3835428} normal block at 0x000002DC73A4E190, 8 bytes long.
 Data: <  &#238;s&#220;   > 00 00 EE 73 DC 02 00 00 
{3833971} normal block at 0x000002DC73A4E690, 8 bytes long.
 Data: <&#176;Qru&#220;   > B0 51 72 75 DC 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002DC73A4FEB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002DC73A47210, 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 0x000002DC73A57420, 16 bytes long.
 Data: <&#248;x&#165;s&#220;           > F8 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002DC73A56610, 16 bytes long.
 Data: <&#208;x&#165;s&#220;           > D0 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002DC73A50EC0, 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 0x000002DC73A571F0, 16 bytes long.
 Data: <&#168;x&#165;s&#220;           > A8 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002DC73A56B60, 16 bytes long.
 Data: < x&#165;s&#220;           > 80 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002DC73A57150, 16 bytes long.
 Data: <Xx&#165;s&#220;           > 58 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002DC73A56CF0, 16 bytes long.
 Data: <0x&#165;s&#220;           > 30 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002DC73A55DF0, 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 0x000002DC73A57510, 16 bytes long.
 Data: <(&#254;&#163;s&#220;           > 28 FE A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002DC73A51280, 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 0x000002DC73A56750, 16 bytes long.
 Data: < &#254;&#163;s&#220;           > 00 FE A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DC73A571A0, 16 bytes long.
 Data: <&#216;&#253;&#163;s&#220;           > D8 FD A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002DC73A56C50, 16 bytes long.
 Data: <&#176;&#253;&#163;s&#220;           > B0 FD A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DC73A57290, 16 bytes long.
 Data: < &#253;&#163;s&#220;           > 88 FD A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002DC73A57100, 16 bytes long.
 Data: <`&#253;&#163;s&#220;           > 60 FD A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002DC73A570B0, 16 bytes long.
 Data: <8&#253;&#163;s&#220;           > 38 FD A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002DC73A50F80, 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 0x000002DC73A574C0, 16 bytes long.
 Data: < &#253;&#163;s&#220;           > 10 FD A3 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DC73A3FD10, 320 bytes long.
 Data: <&#192;t&#165;s&#220;     &#165;s&#220;   > C0 74 A5 73 DC 02 00 00 80 0F A5 73 DC 02 00 00 
{281} normal block at 0x000002DC73A56E80, 16 bytes long.
 Data: < x&#165;s&#220;           > 10 78 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002DC73A57060, 16 bytes long.
 Data: <&#232;w&#165;s&#220;           > E8 77 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DC73A51160, 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 0x000002DC73A56F20, 16 bytes long.
 Data: <&#192;w&#165;s&#220;           > C0 77 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002DC73A50800, 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 0x000002DC73A568E0, 16 bytes long.
 Data: < w&#165;s&#220;           > 08 77 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DC73A56980, 16 bytes long.
 Data: <&#224;v&#165;s&#220;           > E0 76 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002DC73A56A70, 16 bytes long.
 Data: <&#184;v&#165;s&#220;           > B8 76 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002DC73A56890, 16 bytes long.
 Data: < v&#165;s&#220;           > 90 76 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DC73A56700, 16 bytes long.
 Data: <hv&#165;s&#220;           > 68 76 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002DC73A56D40, 16 bytes long.
 Data: <@v&#165;s&#220;           > 40 76 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002DC73A56C00, 16 bytes long.
 Data: < Z&#165;s&#220;           > 00 5A A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002DC73A55A00, 40 bytes long.
 Data: < l&#165;s&#220;    &#195;lu&#220;   > 00 6C A5 73 DC 02 00 00 10 C3 6C 75 DC 02 00 00 
{267} normal block at 0x000002DC73A56E30, 16 bytes long.
 Data: < v&#165;s&#220;           > 20 76 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002DC73A56930, 16 bytes long.
 Data: <&#248;u&#165;s&#220;           > F8 75 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002DC73A50980, 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 0x000002DC73A56ED0, 16 bytes long.
 Data: <&#208;u&#165;s&#220;           > D0 75 A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002DC73A575D0, 992 bytes long.
 Data: <&#208;n&#165;s&#220;    	&#165;s&#220;   > D0 6E A5 73 DC 02 00 00 80 09 A5 73 DC 02 00 00 
{99} normal block at 0x000002DC73A50DA0, 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 0x000002DC73A4E460, 16 bytes long.
 Data: < ]&#165;s&#220;           > 80 5D A5 73 DC 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002DC73A55D80, 40 bytes long.
 Data: <`&#228;&#164;s&#220;   &#160; &#165;s&#220;   > 60 E4 A4 73 DC 02 00 00 A0 0D A5 73 DC 02 00 00 
{76} normal block at 0x000002DC73A4EAA0, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002DC73A4EDC0, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002DC73A4E9B0, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002DC73A4EFA0, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002DC73A4ED70, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002DC73A4EE60, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002DC73A4E230, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002DC73A4E410, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002DC73A4E3C0, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002DC73A4E4B0, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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