Task 38676359

Name test_432-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8011_0
Workunit 31618280
Created 26 Oct 2026, 11:05:17 UTC
Sent 26 Oct 2026, 11:05:27 UTC
Report deadline 31 Oct 2026, 11:05:27 UTC
Received 26 Oct 2026, 11:40:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 23 min 7 sec
CPU time 21 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.41 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:17:36 (24620): wrapper (7.9.26016): starting
12:17:36 (24620): 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
12:17:37 (24620): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:17:37 (24620): 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\2\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\2\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
12:39:53 (24620): C:/Windows/system32/cmd.exe exited; CPU time 1273.984375
12:39:53 (24620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 20383115 bytes.
Dumping objects ->
{3835250} normal block at 0x0000019345C414F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000019345C407D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000019345C41100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000019345C40CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000019345C41250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000019345CFBF40, 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) : {3835162} normal block at 0x0000019344057140, 8 bytes long.
 Data: <  &#254;C&#147;   > 00 00 FE 43 93 01 00 00 
{3833957} normal block at 0x0000019344057050, 8 bytes long.
 Data: < &#235;&#196;E&#147;   > 80 EB C4 45 93 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000019344061070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019344061FB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000193440620B0, 16 bytes long.
 Data: <H9 D&#147;           > 48 39 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000193440622E0, 16 bytes long.
 Data: < 9 D&#147;           > 20 39 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001934405D490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000019344062E70, 16 bytes long.
 Data: <&#248;8 D&#147;           > F8 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019344062AB0, 16 bytes long.
 Data: <&#208;8 D&#147;           > D0 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000193440621F0, 16 bytes long.
 Data: <&#168;8 D&#147;           > A8 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019344062A60, 16 bytes long.
 Data: < 8 D&#147;           > 80 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001934405B240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000019344062920, 16 bytes long.
 Data: <H  D&#147;           > 48 1F 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001934405D310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000019344062A10, 16 bytes long.
 Data: <   D&#147;           > 20 1F 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019344062D80, 16 bytes long.
 Data: <&#248;  D&#147;           > F8 1E 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000193440628D0, 16 bytes long.
 Data: <&#208;  D&#147;           > D0 1E 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019344062240, 16 bytes long.
 Data: <&#168;  D&#147;           > A8 1E 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019344062420, 16 bytes long.
 Data: <   D&#147;           > 80 1E 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000193440624C0, 16 bytes long.
 Data: <X  D&#147;           > 58 1E 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001934405D970, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000193440629C0, 16 bytes long.
 Data: <0  D&#147;           > 30 1E 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019344061E30, 320 bytes long.
 Data: <&#192;) D&#147;   p&#217; D&#147;   > C0 29 06 44 93 01 00 00 70 D9 05 44 93 01 00 00 
{274} normal block at 0x0000019344062C40, 16 bytes long.
 Data: <`8 D&#147;           > 60 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019344063000, 16 bytes long.
 Data: <88 D&#147;           > 38 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001934405CCB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000193440626A0, 16 bytes long.
 Data: < 8 D&#147;           > 10 38 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001934405D1F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000019344062970, 16 bytes long.
 Data: <X7 D&#147;           > 58 37 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019344062650, 16 bytes long.
 Data: <07 D&#147;           > 30 37 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019344062380, 16 bytes long.
 Data: < 7 D&#147;           > 08 37 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019344062150, 16 bytes long.
 Data: <&#224;6 D&#147;           > E0 36 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000193440623D0, 16 bytes long.
 Data: <&#184;6 D&#147;           > B8 36 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019344062F60, 16 bytes long.
 Data: < 6 D&#147;           > 90 36 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019344062880, 16 bytes long.
 Data: < &#179; D&#147;           > 90 B3 05 44 93 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001934405B390, 40 bytes long.
 Data: < ( D&#147;   @&#191;&#207;E&#147;   > 80 28 06 44 93 01 00 00 40 BF CF 45 93 01 00 00 
{260} normal block at 0x0000019344062F10, 16 bytes long.
 Data: <p6 D&#147;           > 70 36 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019344062FB0, 16 bytes long.
 Data: <H6 D&#147;           > 48 36 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001934405CC50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000019344062EC0, 16 bytes long.
 Data: < 6 D&#147;           > 20 36 06 44 93 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019344063620, 992 bytes long.
 Data: <&#192;. D&#147;   P&#204; D&#147;   > C0 2E 06 44 93 01 00 00 50 CC 05 44 93 01 00 00 
{92} normal block at 0x000001934405D3D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000193440564C0, 16 bytes long.
 Data: <&#240;&#183; D&#147;           > F0 B7 05 44 93 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001934405B7F0, 40 bytes long.
 Data: <&#192;d D&#147;   &#208;&#211; D&#147;   > C0 64 05 44 93 01 00 00 D0 D3 05 44 93 01 00 00 
{69} normal block at 0x0000019344056BA0, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019344056F60, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019344057000, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019344056F10, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019344056EC0, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019344056B00, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019344056AB0, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019344056B50, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019344056E20, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000193440567E0, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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