Task 38686512

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2509_0
Workunit 31627943
Created 28 Oct 2026, 2:58:54 UTC
Sent 28 Oct 2026, 2:59:03 UTC
Report deadline 2 Nov 2026, 2:59:03 UTC
Received 28 Oct 2026, 9:13:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 1 hours 43 min 16 sec
CPU time 1 hours 31 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.24 MB
Peak swap size 3.69 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:34:07 (14456): wrapper (7.9.26016): starting
00:34:07 (14456): 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
00:34:09 (14456): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:34:09 (14456): 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:\S0_4_Boinc-Ssd_mp_80GB\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:\S0_4_Boinc-Ssd_mp_80GB\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
02:12:10 (14456): C:/Windows/system32/cmd.exe exited; CPU time 5495.750000
02:12:10 (14456): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 70672185 bytes.
Dumping objects ->
{3846664} normal block at 0x000002C7D3BAD010, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3846653} normal block at 0x000002C7D1EBB520, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3846642} normal block at 0x000002C7D1EBAB80, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3846631} normal block at 0x000002C7D1EBB7C0, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3846620} normal block at 0x000002C7D1EBB750, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3846589} normal block at 0x000002C7D3BACF10, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3846578} normal block at 0x000002C7D3BC0E00, 102 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) : {3846575} normal block at 0x000002C7D1E91BD0, 8 bytes long.
 Data: <  +&#210;&#199;   > 00 00 2B D2 C7 02 00 00 
{3845968} normal block at 0x000002C7D3BC0F60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3845378} normal block at 0x000002C7D1E928F0, 8 bytes long.
 Data: < &#154;&#191;&#211;&#199;   > 90 9A BF D3 C7 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000002C7D1E92F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000002C7D1E87920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000002C7D1E982D0, 16 bytes long.
 Data: <&#248;&#135;&#233;&#209;&#199;           > F8 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002C7D1E97CE0, 16 bytes long.
 Data: <&#208;&#135;&#233;&#209;&#199;           > D0 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002C7D1E8F480, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000002C7D1E97880, 16 bytes long.
 Data: <&#168;&#135;&#233;&#209;&#199;           > A8 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002C7D1E98280, 16 bytes long.
 Data: < &#135;&#233;&#209;&#199;           > 80 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002C7D1E97830, 16 bytes long.
 Data: <X&#135;&#233;&#209;&#199;           > 58 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002C7D1E98460, 16 bytes long.
 Data: <0&#135;&#233;&#209;&#199;           > 30 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002C7D1E90320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000002C7D1E97C40, 16 bytes long.
 Data: <  &#232;&#209;&#199;           > 98 04 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002C7D1E8F420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000002C7D1E97F10, 16 bytes long.
 Data: <p &#232;&#209;&#199;           > 70 04 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002C7D1E98230, 16 bytes long.
 Data: <H &#232;&#209;&#199;           > 48 04 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C7D1E97970, 16 bytes long.
 Data: <  &#232;&#209;&#199;           > 20 04 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C7D1E97D80, 16 bytes long.
 Data: <&#248; &#232;&#209;&#199;           > F8 03 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C7D1E97C90, 16 bytes long.
 Data: <&#208; &#232;&#209;&#199;           > D0 03 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C7D1E97560, 16 bytes long.
 Data: <&#168; &#232;&#209;&#199;           > A8 03 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C7D1E8F240, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{292} normal block at 0x000002C7D1E97BF0, 16 bytes long.
 Data: <  &#232;&#209;&#199;           > 80 03 E8 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C7D1E80380, 320 bytes long.
 Data: <&#240;{&#233;&#209;&#199;   @&#242;&#232;&#209;&#199;   > F0 7B E9 D1 C7 02 00 00 40 F2 E8 D1 C7 02 00 00 
{290} normal block at 0x000002C7D1E98050, 16 bytes long.
 Data: < &#135;&#233;&#209;&#199;           > 10 87 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C7D1E97BA0, 16 bytes long.
 Data: <&#232;&#134;&#233;&#209;&#199;           > E8 86 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C7D1E8F600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000002C7D1E98140, 16 bytes long.
 Data: <&#192;&#134;&#233;&#209;&#199;           > C0 86 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C7D1E8F0C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000002C7D1E97FB0, 16 bytes long.
 Data: < &#134;&#233;&#209;&#199;           > 08 86 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C7D1E97920, 16 bytes long.
 Data: <&#224;&#133;&#233;&#209;&#199;           > E0 85 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C7D1E97F60, 16 bytes long.
 Data: <&#184;&#133;&#233;&#209;&#199;           > B8 85 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C7D1E97B50, 16 bytes long.
 Data: < &#133;&#233;&#209;&#199;           > 90 85 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C7D1E97A60, 16 bytes long.
 Data: <h&#133;&#233;&#209;&#199;           > 68 85 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C7D1E978D0, 16 bytes long.
 Data: <@&#133;&#233;&#209;&#199;           > 40 85 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C7D1E97510, 16 bytes long.
 Data: <&#176; &#233;&#209;&#199;           > B0 02 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C7D1E902B0, 40 bytes long.
 Data: < u&#233;&#209;&#199;    &#207;&#186;&#211;&#199;   > 10 75 E9 D1 C7 02 00 00 10 CF BA D3 C7 02 00 00 
{276} normal block at 0x000002C7D1E979C0, 16 bytes long.
 Data: < &#133;&#233;&#209;&#199;           > 20 85 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C7D1E98000, 16 bytes long.
 Data: <&#248;&#132;&#233;&#209;&#199;           > F8 84 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C7D1E8EAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000002C7D1E97AB0, 16 bytes long.
 Data: <&#208;&#132;&#233;&#209;&#199;           > D0 84 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C7D1E984D0, 992 bytes long.
 Data: <&#176;z&#233;&#209;&#199;   &#192;&#234;&#232;&#209;&#199;   > B0 7A E9 D1 C7 02 00 00 C0 EA E8 D1 C7 02 00 00 
{108} normal block at 0x000002C7D1E8F660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000002C7D1E929E0, 16 bytes long.
 Data: <  &#233;&#209;&#199;           > 00 04 E9 D1 C7 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000002C7D1E90400, 40 bytes long.
 Data: <&#224;)&#233;&#209;&#199;   `&#246;&#232;&#209;&#199;   > E0 29 E9 D1 C7 02 00 00 60 F6 E8 D1 C7 02 00 00 
{85} normal block at 0x000002C7D1E92120, 16 bytes long.
 Data: < &#234;#j&#246;           > 80 EA 23 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002C7D1E92800, 16 bytes long.
 Data: <@&#233;#j&#246;           > 40 E9 23 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002C7D1E92710, 16 bytes long.
 Data: <&#248;W j&#246;           > F8 57 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002C7D1E91F40, 16 bytes long.
 Data: <&#216;W j&#246;           > D8 57 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002C7D1E92940, 16 bytes long.
 Data: <P  j&#246;           > 50 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002C7D1E92A80, 16 bytes long.
 Data: <0  j&#246;           > 30 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002C7D1E92850, 16 bytes long.
 Data: <&#224;  j&#246;           > E0 02 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002C7D1E91E00, 16 bytes long.
 Data: <   j&#246;           > 10 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002C7D1E92990, 16 bytes long.
 Data: <p  j&#246;           > 70 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002C7D1E91F90, 16 bytes long.
 Data: < &#192; j&#246;           > 18 C0 1E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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