Task 38681760

Name test_797-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3095_0
Workunit 31623412
Created 27 Oct 2026, 5:13:45 UTC
Sent 27 Oct 2026, 5:13:56 UTC
Report deadline 1 Nov 2026, 5:13:56 UTC
Received 27 Oct 2026, 7:18:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 50 min 33 sec
CPU time 46 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 472.48 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:28:10 (14644): wrapper (7.9.26016): starting
00:28:10 (14644): 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
00:28:15 (14644): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:28:15 (14644): 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
01:17:21 (14644): C:/Windows/system32/cmd.exe exited; CPU time 2762.015625
01:17:21 (14644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 72130819 bytes.
Dumping objects ->
{3835490} normal block at 0x000001E317D65680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001E317D653E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001E317D65A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x000001E317D65990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000001E317D656F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x000001E31998C3F0, 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) : {3835402} normal block at 0x000001E317D5DEA0, 8 bytes long.
 Data: <    &#227;   > 00 00 1A 18 E3 01 00 00 
{3833961} normal block at 0x000001E317D5DC20, 8 bytes long.
 Data: < W&#158; &#227;   > 80 57 9E 19 E3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E317D61F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E317D56620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001E317D666E0, 16 bytes long.
 Data: <&#248;q&#214; &#227;           > F8 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E317D66780, 16 bytes long.
 Data: <&#208;q&#214; &#227;           > D0 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E317D5F8D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001E317D66460, 16 bytes long.
 Data: <&#168;q&#214; &#227;           > A8 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E317D665A0, 16 bytes long.
 Data: < q&#214; &#227;           > 80 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E317D66D20, 16 bytes long.
 Data: <Xq&#214; &#227;           > 58 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E317D66CD0, 16 bytes long.
 Data: <0q&#214; &#227;           > 30 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E317D65920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001E317D66C80, 16 bytes long.
 Data: <X&#249;&#212; &#227;           > 58 F9 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E317D5FDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001E317D66910, 16 bytes long.
 Data: <0&#249;&#212; &#227;           > 30 F9 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E317D66B40, 16 bytes long.
 Data: < &#249;&#212; &#227;           > 08 F9 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E317D660A0, 16 bytes long.
 Data: <&#224;&#248;&#212; &#227;           > E0 F8 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E317D66AF0, 16 bytes long.
 Data: <&#184;&#248;&#212; &#227;           > B8 F8 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E317D66280, 16 bytes long.
 Data: < &#248;&#212; &#227;           > 90 F8 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E317D66230, 16 bytes long.
 Data: <h&#248;&#212; &#227;           > 68 F8 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E317D60590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001E317D66140, 16 bytes long.
 Data: <@&#248;&#212; &#227;           > 40 F8 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E317D4F840, 320 bytes long.
 Data: <@a&#214; &#227;     &#214; &#227;   > 40 61 D6 17 E3 01 00 00 90 05 D6 17 E3 01 00 00 
{276} normal block at 0x000001E317D66A00, 16 bytes long.
 Data: < q&#214; &#227;           > 10 71 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E317D66960, 16 bytes long.
 Data: <&#232;p&#214; &#227;           > E8 70 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E317D5F870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001E317D66C30, 16 bytes long.
 Data: <&#192;p&#214; &#227;           > C0 70 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E317D5FAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001E317D667D0, 16 bytes long.
 Data: < p&#214; &#227;           > 08 70 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E317D66D70, 16 bytes long.
 Data: <&#224;o&#214; &#227;           > E0 6F D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E317D661E0, 16 bytes long.
 Data: <&#184;o&#214; &#227;           > B8 6F D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E317D66E10, 16 bytes long.
 Data: < o&#214; &#227;           > 90 6F D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E317D66320, 16 bytes long.
 Data: <ho&#214; &#227;           > 68 6F D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E317D66690, 16 bytes long.
 Data: <@o&#214; &#227;           > 40 6F D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E317D665F0, 16 bytes long.
 Data: <PT&#214; &#227;           > 50 54 D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E317D65450, 40 bytes long.
 Data: <&#240;e&#214; &#227;   &#240;&#195;  &#227;   > F0 65 D6 17 E3 01 00 00 F0 C3 98 19 E3 01 00 00 
{262} normal block at 0x000001E317D66AA0, 16 bytes long.
 Data: < o&#214; &#227;           > 20 6F D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E317D66870, 16 bytes long.
 Data: <&#248;n&#214; &#227;           > F8 6E D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E317D60710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001E317D66050, 16 bytes long.
 Data: <&#208;n&#214; &#227;           > D0 6E D6 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E317D66ED0, 992 bytes long.
 Data: <P`&#214; &#227;     &#214; &#227;   > 50 60 D6 17 E3 01 00 00 10 07 D6 17 E3 01 00 00 
{94} normal block at 0x000001E317D5FED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001E317D5DE50, 16 bytes long.
 Data: <P&#230;&#212; &#227;           > 50 E6 D4 17 E3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E317D4E650, 40 bytes long.
 Data: <P&#222;&#213; &#227;   &#208;&#254;&#213; &#227;   > 50 DE D5 17 E3 01 00 00 D0 FE D5 17 E3 01 00 00 
{71} normal block at 0x000001E317D5E6C0, 16 bytes long.
 Data: < &#234;&#200;i&#247;           > 80 EA C8 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E317D5E490, 16 bytes long.
 Data: <@&#233;&#200;i&#247;           > 40 E9 C8 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E317D5DD60, 16 bytes long.
 Data: <&#248;W&#197;i&#247;           > F8 57 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E317D5DD10, 16 bytes long.
 Data: <&#216;W&#197;i&#247;           > D8 57 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E317D5E530, 16 bytes long.
 Data: <P &#197;i&#247;           > 50 04 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E317D5E440, 16 bytes long.
 Data: <0 &#197;i&#247;           > 30 04 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E317D5E4E0, 16 bytes long.
 Data: <&#224; &#197;i&#247;           > E0 02 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E317D5DAE0, 16 bytes long.
 Data: <  &#197;i&#247;           > 10 04 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E317D5E3F0, 16 bytes long.
 Data: <p &#197;i&#247;           > 70 04 C5 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E317D5E580, 16 bytes long.
 Data: < &#192;&#195;i&#247;           > 18 C0 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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