Task 38685981

Name test_116-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9077_0
Workunit 31627431
Created 27 Oct 2026, 23:59:57 UTC
Sent 27 Oct 2026, 23:59:58 UTC
Report deadline 1 Nov 2026, 23:59:58 UTC
Received 28 Oct 2026, 0:26:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 11 sec
CPU time 24 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.42 MB
Peak swap size 6.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
20:01:12 (28048): wrapper (7.9.26016): starting
20:01:12 (28048): 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
20:01:13 (28048): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:01:13 (28048): 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
20:26:30 (28048): C:/Windows/system32/cmd.exe exited; CPU time 1496.656250
20:26:30 (28048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27052075 bytes.
Dumping objects ->
{3835542} normal block at 0x000001A7388461F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001A7388466C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x000001A738846500, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x000001A7388463B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000001A7388465E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000001A73A459770, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001A73A46ECE0, 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) : {3835453} normal block at 0x000001A73883D790, 8 bytes long.
 Data: <   8&#167;   > 00 00 81 38 A7 01 00 00 
{3834690} normal block at 0x000001A73A46EA20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001A73883D5B0, 8 bytes long.
 Data: <0&#224;F:&#167;   > 30 E0 46 3A A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A738841590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A738835E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001A738845720, 16 bytes long.
 Data: <&#168;`&#132;8&#167;           > A8 60 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A7388456D0, 16 bytes long.
 Data: < `&#132;8&#167;           > 80 60 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A73883F2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001A738845680, 16 bytes long.
 Data: <X`&#132;8&#167;           > 58 60 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A738845A40, 16 bytes long.
 Data: <0`&#132;8&#167;           > 30 60 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A738845CC0, 16 bytes long.
 Data: < `&#132;8&#167;           > 08 60 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A738845220, 16 bytes long.
 Data: <&#224;_&#132;8&#167;           > E0 5F 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A738846340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001A7388455E0, 16 bytes long.
 Data: <  &#131;8&#167;           > 08 8F 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A73883F030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001A7388459A0, 16 bytes long.
 Data: <&#224;&#142;&#131;8&#167;           > E0 8E 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A738845540, 16 bytes long.
 Data: <&#184;&#142;&#131;8&#167;           > B8 8E 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A738845630, 16 bytes long.
 Data: < &#142;&#131;8&#167;           > 90 8E 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A738844F50, 16 bytes long.
 Data: <h&#142;&#131;8&#167;           > 68 8E 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A738845B30, 16 bytes long.
 Data: <@&#142;&#131;8&#167;           > 40 8E 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A738845400, 16 bytes long.
 Data: < &#142;&#131;8&#167;           > 18 8E 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A73883FED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001A738845810, 16 bytes long.
 Data: <&#240; &#131;8&#167;           > F0 8D 83 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A738838DF0, 320 bytes long.
 Data: < X&#132;8&#167;   &#208;&#254;&#131;8&#167;   > 10 58 84 38 A7 01 00 00 D0 FE 83 38 A7 01 00 00 
{275} normal block at 0x000001A738845C70, 16 bytes long.
 Data: <&#192;_&#132;8&#167;           > C0 5F 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A738844E10, 16 bytes long.
 Data: < _&#132;8&#167;           > 98 5F 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A73883FB70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001A7388454F0, 16 bytes long.
 Data: <p_&#132;8&#167;           > 70 5F 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A73883FCF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001A7388451D0, 16 bytes long.
 Data: <&#184;^&#132;8&#167;           > B8 5E 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A738845C20, 16 bytes long.
 Data: < ^&#132;8&#167;           > 90 5E 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A738845D10, 16 bytes long.
 Data: <h^&#132;8&#167;           > 68 5E 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A7388453B0, 16 bytes long.
 Data: <@^&#132;8&#167;           > 40 5E 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A738845360, 16 bytes long.
 Data: < ^&#132;8&#167;           > 18 5E 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A738845AE0, 16 bytes long.
 Data: <&#240;]&#132;8&#167;           > F0 5D 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A738845BD0, 16 bytes long.
 Data: < &#228;&#130;8&#167;           > 90 E4 82 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A73882E490, 40 bytes long.
 Data: <&#208;[&#132;8&#167;   p&#151;E:&#167;   > D0 5B 84 38 A7 01 00 00 70 97 45 3A A7 01 00 00 
{261} normal block at 0x000001A738845310, 16 bytes long.
 Data: <&#208;]&#132;8&#167;           > D0 5D 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A738844FA0, 16 bytes long.
 Data: <&#168;]&#132;8&#167;           > A8 5D 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A73883F210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001A738845590, 16 bytes long.
 Data: < ]&#132;8&#167;           > 80 5D 84 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A738845D80, 992 bytes long.
 Data: < U&#132;8&#167;    &#242;&#131;8&#167;   > 90 55 84 38 A7 01 00 00 10 F2 83 38 A7 01 00 00 
{93} normal block at 0x000001A73883F1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001A73883D1A0, 16 bytes long.
 Data: <&#160;&#221;&#130;8&#167;           > A0 DD 82 38 A7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001A73882DDA0, 40 bytes long.
 Data: <&#160;&#209;&#131;8&#167;   &#176;&#241;&#131;8&#167;   > A0 D1 83 38 A7 01 00 00 B0 F1 83 38 A7 01 00 00 
{70} normal block at 0x000001A73883DA60, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A73883D6F0, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A73883D7E0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A73883D150, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A73883D740, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A73883DD80, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A73883D2E0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A73883D830, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A73883DB00, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A73883D6A0, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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