Task 38681318

Name test_45-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7240_0
Workunit 31622987
Created 27 Oct 2026, 3:29:40 UTC
Sent 27 Oct 2026, 3:29:45 UTC
Report deadline 1 Nov 2026, 3:29:45 UTC
Received 27 Oct 2026, 4:04:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 541192
Run time 32 min 17 sec
CPU time 29 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.35 MB
Peak swap size 13.04 GB
Peak disk usage 3.81 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:34:07 (17528): wrapper (7.9.26016): starting
04:34:07 (17528): 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
04:34:09 (17528): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:34:09 (17528): 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 'J:\BOINC\data\slots\9\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 'J:\BOINC\data\slots\9\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
05:04:22 (17528): C:/Windows/system32/cmd.exe exited; CPU time 1787.953125
05:04:22 (17528): 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: 39822818 bytes.
Dumping objects ->
{3835586} normal block at 0x0000026A81465CD0, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835575} normal block at 0x0000026A83173540, 32 bytes long.
 Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835564} normal block at 0x0000026A83173AE0, 32 bytes long.
 Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835553} normal block at 0x0000026A83172A60, 32 bytes long.
 Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835542} normal block at 0x0000026A831734E0, 32 bytes long.
 Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C 
{3835511} normal block at 0x0000026A81465BF0, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835500} normal block at 0x0000026A8313E7F0, 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) : {3835497} normal block at 0x0000026A8145BCB0, 8 bytes long.
 Data: <  A j   > 00 00 41 81 6A 02 00 00 
{3834717} normal block at 0x0000026A8313EA70, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833991} normal block at 0x0000026A8145BAD0, 8 bytes long.
 Data: <p&#235; &#131;j   > 70 EB 03 83 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x0000026A81462A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000026A814566B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{311} normal block at 0x0000026A81466C40, 16 bytes long.
 Data: <xzF j           > 78 7A 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000026A814668D0, 16 bytes long.
 Data: <PzF j           > 50 7A 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000026A8145F3E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{308} normal block at 0x0000026A814670A0, 16 bytes long.
 Data: <(zF j           > 28 7A 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000026A81466880, 16 bytes long.
 Data: < zF j           > 00 7A 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000026A81466830, 16 bytes long.
 Data: <&#216;yF j           > D8 79 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000026A81466790, 16 bytes long.
 Data: <&#176;yF j           > B0 79 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000026A81466130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{303} normal block at 0x0000026A81467460, 16 bytes long.
 Data: < &#254;D j           > 08 FE 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000026A8145F9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{301} normal block at 0x0000026A81466BF0, 16 bytes long.
 Data: <&#224;&#253;D j           > E0 FD 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026A814676E0, 16 bytes long.
 Data: <&#184;&#253;D j           > B8 FD 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026A81467410, 16 bytes long.
 Data: < &#253;D j           > 90 FD 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026A81466FB0, 16 bytes long.
 Data: <h&#253;D j           > 68 FD 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026A81466E20, 16 bytes long.
 Data: <@&#253;D j           > 40 FD 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026A81466BA0, 16 bytes long.
 Data: < &#253;D j           > 18 FD 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026A8145F920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{293} normal block at 0x0000026A81467050, 16 bytes long.
 Data: <&#240;&#252;D j           > F0 FC 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026A8144FCF0, 320 bytes long.
 Data: <PpF j    &#249;E j   > 50 70 46 81 6A 02 00 00 20 F9 45 81 6A 02 00 00 
{291} normal block at 0x0000026A814669C0, 16 bytes long.
 Data: < yF j           > 90 79 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026A81466A10, 16 bytes long.
 Data: <hyF j           > 68 79 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026A8145EF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{288} normal block at 0x0000026A814672D0, 16 bytes long.
 Data: <@yF j           > 40 79 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026A8145F8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{286} normal block at 0x0000026A81467690, 16 bytes long.
 Data: < xF j           > 88 78 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026A81466DD0, 16 bytes long.
 Data: <`xF j           > 60 78 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026A81466D80, 16 bytes long.
 Data: <8xF j           > 38 78 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026A81467500, 16 bytes long.
 Data: < xF j           > 10 78 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026A81466B50, 16 bytes long.
 Data: <&#232;wF j           > E8 77 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026A81466B00, 16 bytes long.
 Data: <&#192;wF j           > C0 77 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026A81467320, 16 bytes long.
 Data: < _F j           > 00 5F 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026A81465F00, 40 bytes long.
 Data: < sF j   &#240;[F j   > 20 73 46 81 6A 02 00 00 F0 5B 46 81 6A 02 00 00 
{277} normal block at 0x0000026A81466D30, 16 bytes long.
 Data: <&#160;wF j           > A0 77 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026A81467190, 16 bytes long.
 Data: <xwF j           > 78 77 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026A8145F800, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{274} normal block at 0x0000026A81467280, 16 bytes long.
 Data: <PwF j           > 50 77 46 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026A81467750, 992 bytes long.
 Data: < rF j    &#248;E j   > 80 72 46 81 6A 02 00 00 00 F8 45 81 6A 02 00 00 
{109} normal block at 0x0000026A8145F7A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{108} normal block at 0x0000026A8145AF90, 16 bytes long.
 Data: < &#250;D j           > 00 FA 44 81 6A 02 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x0000026A8144FA00, 40 bytes long.
 Data: < &#175;E j   &#160;&#247;E j   > 90 AF 45 81 6A 02 00 00 A0 F7 45 81 6A 02 00 00 
{86} normal block at 0x0000026A8145B710, 16 bytes long.
 Data: < &#234; &#161;&#247;           > 80 EA 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000026A8145B3F0, 16 bytes long.
 Data: <@&#233; &#161;&#247;           > 40 E9 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000026A8145B170, 16 bytes long.
 Data: <&#248;W&#138;&#161;&#247;           > F8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000026A8145B0D0, 16 bytes long.
 Data: <&#216;W&#138;&#161;&#247;           > D8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000026A8145BB20, 16 bytes long.
 Data: <P &#138;&#161;&#247;           > 50 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000026A8145B030, 16 bytes long.
 Data: <0 &#138;&#161;&#247;           > 30 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000026A8145BDA0, 16 bytes long.
 Data: <&#224; &#138;&#161;&#247;           > E0 02 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000026A8145AF40, 16 bytes long.
 Data: <  &#138;&#161;&#247;           > 10 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000026A8145BA30, 16 bytes long.
 Data: <p &#138;&#161;&#247;           > 70 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000026A8145B3A0, 16 bytes long.
 Data: < &#192; &#161;&#247;           > 18 C0 88 A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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