Task 38680579

Name test_978-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2983_0
Workunit 31622294
Created 27 Oct 2026, 0:29:51 UTC
Sent 27 Oct 2026, 0:30:09 UTC
Report deadline 1 Nov 2026, 0:30:09 UTC
Received 27 Oct 2026, 3:02:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645421
Run time 2 hours 32 min 7 sec
CPU time 2 hours 29 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,390.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.86 MB
Peak swap size 5.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:29:36 (15500): wrapper (7.9.26016): starting
17:29:36 (15500): 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
17:29:38 (15500): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:29:38 (15500): 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\12\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\12\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
20:00:27 (15500): C:/Windows/system32/cmd.exe exited; CPU time 8969.468750
20:00:27 (15500): 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: 164900783 bytes.
Dumping objects ->
{3835203} normal block at 0x0000024788C9CD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x00000247870246E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000024787024520, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x0000024787024A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000024787024980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x0000024788CE4730, 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) : {3835115} normal block at 0x000002478701FAC0, 8 bytes long.
 Data: <  &#255;&#134;G   > 00 00 FF 86 47 02 00 00 
{3833963} normal block at 0x00000247870200B0, 8 bytes long.
 Data: < 6&#212; G   > 80 36 D4 88 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024787020F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000247870164B0, 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 0x0000024787025F60, 16 bytes long.
 Data: <(S &#135;G           > 28 53 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024787025C90, 16 bytes long.
 Data: < S &#135;G           > 00 53 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002478701E6C0, 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 0x0000024787025F10, 16 bytes long.
 Data: <&#216;R &#135;G           > D8 52 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000247870260F0, 16 bytes long.
 Data: <&#176;R &#135;G           > B0 52 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024787025CE0, 16 bytes long.
 Data: < R &#135;G           > 88 52 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024787025C40, 16 bytes long.
 Data: <`R &#135;G           > 60 52 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024787024830, 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 0x0000024787025BF0, 16 bytes long.
 Data: <8&#142; &#135;G           > 38 8E 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002478701F2C0, 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 0x0000024787026280, 16 bytes long.
 Data: < &#142; &#135;G           > 10 8E 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024787025560, 16 bytes long.
 Data: <&#232;  &#135;G           > E8 8D 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024787025B50, 16 bytes long.
 Data: <&#192;  &#135;G           > C0 8D 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024787025A10, 16 bytes long.
 Data: <   &#135;G           > 98 8D 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024787025AB0, 16 bytes long.
 Data: <p  &#135;G           > 70 8D 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024787026320, 16 bytes long.
 Data: <H  &#135;G           > 48 8D 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002478701F1A0, 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 0x0000024787025FB0, 16 bytes long.
 Data: <   &#135;G           > 20 8D 01 87 47 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024787018D20, 320 bytes long.
 Data: <&#176;_ &#135;G   &#160;&#241; &#135;G   > B0 5F 02 87 47 02 00 00 A0 F1 01 87 47 02 00 00 
{277} normal block at 0x0000024787025740, 16 bytes long.
 Data: <@R &#135;G           > 40 52 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024787025B00, 16 bytes long.
 Data: < R &#135;G           > 18 52 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002478701F080, 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 0x0000024787025EC0, 16 bytes long.
 Data: <&#240;Q &#135;G           > F0 51 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002478701EA80, 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 0x0000024787025A60, 16 bytes long.
 Data: <8Q &#135;G           > 38 51 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000247870259C0, 16 bytes long.
 Data: < Q &#135;G           > 10 51 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024787025BA0, 16 bytes long.
 Data: <&#232;P &#135;G           > E8 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000247870262D0, 16 bytes long.
 Data: <&#192;P &#135;G           > C0 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024787026370, 16 bytes long.
 Data: < P &#135;G           > 98 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002478701F840, 16 bytes long.
 Data: <pP &#135;G           > 70 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002478701F7F0, 16 bytes long.
 Data: <&#240;I &#135;G           > F0 49 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000247870249F0, 40 bytes long.
 Data: <&#240;&#247; &#135;G   0G&#206; G   > F0 F7 01 87 47 02 00 00 30 47 CE 88 47 02 00 00 
{263} normal block at 0x0000024787020100, 16 bytes long.
 Data: <PP &#135;G           > 50 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002478701F7A0, 16 bytes long.
 Data: <(P &#135;G           > 28 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002478701E9C0, 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 0x000002478701F5C0, 16 bytes long.
 Data: < P &#135;G           > 00 50 02 87 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024787025000, 992 bytes long.
 Data: <&#192;&#245; &#135;G   &#192;&#233; &#135;G   > C0 F5 01 87 47 02 00 00 C0 E9 01 87 47 02 00 00 
{95} normal block at 0x000002478701EAE0, 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 0x000002478701FDE0, 16 bytes long.
 Data: <&#176;&#210; &#135;G           > B0 D2 00 87 47 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002478700D2B0, 40 bytes long.
 Data: <&#224;&#253; &#135;G   &#224;&#234; &#135;G   > E0 FD 01 87 47 02 00 00 E0 EA 01 87 47 02 00 00 
{72} normal block at 0x000002478701F8E0, 16 bytes long.
 Data: < &#234; t&#247;           > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002478701FCA0, 16 bytes long.
 Data: <@&#233; t&#247;           > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002478701F700, 16 bytes long.
 Data: <&#248;W t&#247;           > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002478701FB10, 16 bytes long.
 Data: <&#216;W t&#247;           > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002478701FD40, 16 bytes long.
 Data: <P  t&#247;           > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024787020010, 16 bytes long.
 Data: <0  t&#247;           > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002478701FBB0, 16 bytes long.
 Data: <&#224;  t&#247;           > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002478701FE30, 16 bytes long.
 Data: <   t&#247;           > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024787020240, 16 bytes long.
 Data: <p  t&#247;           > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002478701F4D0, 16 bytes long.
 Data: < &#192; t&#247;           > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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