Task 38698732

Name test_488-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2406_1
Workunit 31631098
Created 3 Nov 2026, 0:25:04 UTC
Sent 3 Nov 2026, 0:25:09 UTC
Report deadline 8 Nov 2026, 0:25:09 UTC
Received 3 Nov 2026, 5:18:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 39 min 52 sec
CPU time 36 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.61 MB
Peak swap size 5.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:39:59 (21908): wrapper (7.9.26016): starting
22:39:59 (21908): 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
22:40:01 (21908): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:40:01 (21908): 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:\ProgramData\BOINC\slots\5\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\5\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
23:18:02 (21908): C:/Windows/system32/cmd.exe exited; CPU time 2212.859375
23:18:02 (21908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 38455613 bytes.
Dumping objects ->
{3835319} normal block at 0x00000246B3A4FE20, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x00000246B3A4FFE0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x00000246B3A4F4F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x00000246B3A4FF00, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000246B3A4F640, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x00000246B6F75B60, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000246B3ABD420, 135 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) : {3835230} normal block at 0x00000246B3A492A0, 8 bytes long.
 Data: <  M&#181;F   > 00 00 4D B5 46 02 00 00 
{3834589} normal block at 0x00000246B3ABD5C0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000246B3A48B20, 8 bytes long.
 Data: <&#240;&#201;&#168;&#179;F   > F0 C9 A8 B3 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000246B3A4CAF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000246B3A2BDD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000246B3A4EAF0, 16 bytes long.
 Data: < &#241;&#164;&#179;F           > 08 F1 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000246B3A4EAA0, 16 bytes long.
 Data: <&#224;&#240;&#164;&#179;F           > E0 F0 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000246B3A49DE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000246B3A4E640, 16 bytes long.
 Data: <&#184;&#240;&#164;&#179;F           > B8 F0 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000246B3A4E4B0, 16 bytes long.
 Data: < &#240;&#164;&#179;F           > 90 F0 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000246B3A4E410, 16 bytes long.
 Data: <h&#240;&#164;&#179;F           > 68 F0 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000246B3A4E3C0, 16 bytes long.
 Data: <@&#240;&#164;&#179;F           > 40 F0 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000246B3A46C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000246B3A4E280, 16 bytes long.
 Data: < &#219;&#164;&#179;F           > 08 DB A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000246B3A49CC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000246B3A4DFB0, 16 bytes long.
 Data: <&#224;&#218;&#164;&#179;F           > E0 DA A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000246B3A4E460, 16 bytes long.
 Data: <&#184;&#218;&#164;&#179;F           > B8 DA A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000246B3A4EBE0, 16 bytes long.
 Data: < &#218;&#164;&#179;F           > 90 DA A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000246B3A4E8C0, 16 bytes long.
 Data: <h&#218;&#164;&#179;F           > 68 DA A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000246B3A4EA50, 16 bytes long.
 Data: <@&#218;&#164;&#179;F           > 40 DA A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000246B3A4E730, 16 bytes long.
 Data: < &#218;&#164;&#179;F           > 18 DA A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000246B3A4A200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000246B3A4E9B0, 16 bytes long.
 Data: <&#240;&#217;&#164;&#179;F           > F0 D9 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000246B3A4D9F0, 320 bytes long.
 Data: <&#176;&#233;&#164;&#179;F    &#162;&#164;&#179;F   > B0 E9 A4 B3 46 02 00 00 00 A2 A4 B3 46 02 00 00 
{270} normal block at 0x00000246B3A4ED70, 16 bytes long.
 Data: < &#240;&#164;&#179;F           > 20 F0 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000246B3A4EA00, 16 bytes long.
 Data: <&#248;&#239;&#164;&#179;F           > F8 EF A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000246B3A49A80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000246B3A4ED20, 16 bytes long.
 Data: <&#208;&#239;&#164;&#179;F           > D0 EF A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000246B3A499C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000246B3A4E5F0, 16 bytes long.
 Data: < &#239;&#164;&#179;F           > 18 EF A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000246B3A4E1E0, 16 bytes long.
 Data: <&#240;&#238;&#164;&#179;F           > F0 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000246B3A4E370, 16 bytes long.
 Data: <&#200;&#238;&#164;&#179;F           > C8 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000246B3A4E320, 16 bytes long.
 Data: <&#160;&#238;&#164;&#179;F           > A0 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000246B3A4E5A0, 16 bytes long.
 Data: <x&#238;&#164;&#179;F           > 78 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000246B3A4E050, 16 bytes long.
 Data: <P&#238;&#164;&#179;F           > 50 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000246B3A4DE20, 16 bytes long.
 Data: <&#192;m&#164;&#179;F           > C0 6D A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000246B3A46DC0, 40 bytes long.
 Data: < &#222;&#164;&#179;F   `[&#247;&#182;F   > 20 DE A4 B3 46 02 00 00 60 5B F7 B6 46 02 00 00 
{256} normal block at 0x00000246B3A4E190, 16 bytes long.
 Data: <0&#238;&#164;&#179;F           > 30 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000246B3A4E550, 16 bytes long.
 Data: < &#238;&#164;&#179;F           > 08 EE A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000246B3A49600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000246B3A4E500, 16 bytes long.
 Data: <&#224;&#237;&#164;&#179;F           > E0 ED A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000246B3A4EDE0, 992 bytes long.
 Data: < &#229;&#164;&#179;F    &#150;&#164;&#179;F   > 00 E5 A4 B3 46 02 00 00 00 96 A4 B3 46 02 00 00 
{88} normal block at 0x00000246B3A4A140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000246B3A48990, 16 bytes long.
 Data: <&#208;i&#164;&#179;F           > D0 69 A4 B3 46 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000246B3A469D0, 40 bytes long.
 Data: < &#137;&#164;&#179;F   @&#161;&#164;&#179;F   > 90 89 A4 B3 46 02 00 00 40 A1 A4 B3 46 02 00 00 
{65} normal block at 0x00000246B3A48940, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000246B3A48A30, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000246B3A489E0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000246B3A49160, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000246B3A48350, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000246B3A48490, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000246B3A485D0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000246B3A488F0, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000246B3A48580, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000246B3A48670, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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