Task 38698184

Name test_266-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3525_0
Workunit 31638716
Created 2 Nov 2026, 5:23:41 UTC
Sent 2 Nov 2026, 5:23:47 UTC
Report deadline 7 Nov 2026, 5:23:47 UTC
Received 2 Nov 2026, 6:08:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 598224
Run time 28 min 55 sec
CPU time 28 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,293.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.72 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:32:37 (56836): wrapper (7.9.26016): starting
06:32:37 (56836): 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
06:32:38 (56836): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:32:38 (56836): 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\11\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\11\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
07:08:05 (56836): C:/Windows/system32/cmd.exe exited; CPU time 1735.375000
07:08:05 (56836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 46894257 bytes.
Dumping objects ->
{3835245} normal block at 0x0000023114DF1090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000023114DF0FB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000023114DF16B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000023114DF0CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000023114DF0C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000023114EF3340, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000023114DFDC20, 140 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) : {3835156} normal block at 0x000002311313E440, 8 bytes long.
 Data: <    1   > 00 00 10 13 31 02 00 00 
{3834555} normal block at 0x0000023114DFD740, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002311313EE90, 8 bytes long.
 Data: <&#240;&#170;&#244; 1   > F0 AA F4 14 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023113132120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002311312A4C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002311313E3A0, 16 bytes long.
 Data: <H&#222;  1           > 48 DE 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002311313E080, 16 bytes long.
 Data: < &#222;  1           > 20 DE 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000231131382E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002311313A750, 16 bytes long.
 Data: <&#248;&#221;  1           > F8 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002311313AA20, 16 bytes long.
 Data: <&#208;&#221;  1           > D0 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002311313A570, 16 bytes long.
 Data: <&#168;&#221;  1           > A8 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002311313B150, 16 bytes long.
 Data: < &#221;  1           > 80 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023113137150, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002311313A4D0, 16 bytes long.
 Data: <&#184;&#140;  1           > B8 8C 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023113138640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002311313B100, 16 bytes long.
 Data: < &#140;  1           > 90 8C 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002311313AE80, 16 bytes long.
 Data: <h&#140;  1           > 68 8C 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002311313A980, 16 bytes long.
 Data: <@&#140;  1           > 40 8C 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002311313B0B0, 16 bytes long.
 Data: < &#140;  1           > 18 8C 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002311313A7F0, 16 bytes long.
 Data: <&#240;&#139;  1           > F0 8B 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002311313B290, 16 bytes long.
 Data: <&#200;&#139;  1           > C8 8B 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023113137E00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002311313A840, 16 bytes long.
 Data: <&#160;&#139;  1           > A0 8B 12 13 31 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023113128BA0, 320 bytes long.
 Data: <@&#168;  1    ~  1   > 40 A8 13 13 31 02 00 00 00 7E 13 13 31 02 00 00 
{277} normal block at 0x000002311313AD90, 16 bytes long.
 Data: <`&#221;  1           > 60 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002311313B240, 16 bytes long.
 Data: <8&#221;  1           > 38 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023113137F20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002311313B420, 16 bytes long.
 Data: < &#221;  1           > 10 DD 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023113137EC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002311313A660, 16 bytes long.
 Data: <X&#220;  1           > 58 DC 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002311313ACA0, 16 bytes long.
 Data: <0&#220;  1           > 30 DC 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002311313B010, 16 bytes long.
 Data: < &#220;  1           > 08 DC 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002311313A6B0, 16 bytes long.
 Data: <&#224;&#219;  1           > E0 DB 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002311313A7A0, 16 bytes long.
 Data: <&#184;&#219;  1           > B8 DB 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002311313AC00, 16 bytes long.
 Data: < &#219;  1           > 90 DB 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002311313AE30, 16 bytes long.
 Data: < p  1           > 00 70 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023113137000, 40 bytes long.
 Data: <0&#174;  1   @3&#239; 1   > 30 AE 13 13 31 02 00 00 40 33 EF 14 31 02 00 00 
{263} normal block at 0x000002311313AA70, 16 bytes long.
 Data: <p&#219;  1           > 70 DB 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002311313B060, 16 bytes long.
 Data: <H&#219;  1           > 48 DB 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023113138220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002311313AFC0, 16 bytes long.
 Data: < &#219;  1           > 20 DB 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002311313DB20, 992 bytes long.
 Data: <&#192;&#175;  1    &#130;  1   > C0 AF 13 13 31 02 00 00 20 82 13 13 31 02 00 00 
{95} normal block at 0x0000023113137800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002311313B330, 16 bytes long.
 Data: < s  1           > 80 73 13 13 31 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023113137380, 40 bytes long.
 Data: <0&#179;  1    x  1   > 30 B3 13 13 31 02 00 00 00 78 13 13 31 02 00 00 
{72} normal block at 0x000002311313AED0, 16 bytes long.
 Data: < &#234;&#235;\&#246;           > 80 EA EB 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002311313AB10, 16 bytes long.
 Data: <@&#233;&#235;\&#246;           > 40 E9 EB 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002311313A700, 16 bytes long.
 Data: <&#248;W&#232;\&#246;           > F8 57 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002311313AF20, 16 bytes long.
 Data: <&#216;W&#232;\&#246;           > D8 57 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002311313B3D0, 16 bytes long.
 Data: <P &#232;\&#246;           > 50 04 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002311313AB60, 16 bytes long.
 Data: <0 &#232;\&#246;           > 30 04 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002311313B1A0, 16 bytes long.
 Data: <&#224; &#232;\&#246;           > E0 02 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002311312B890, 16 bytes long.
 Data: <  &#232;\&#246;           > 10 04 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002311312B610, 16 bytes long.
 Data: <p &#232;\&#246;           > 70 04 E8 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002311312B5C0, 16 bytes long.
 Data: < &#192;&#230;\&#246;           > 18 C0 E6 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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