Task 38688938

Name test_573-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0050_0
Workunit 31630230
Created 28 Oct 2026, 17:07:06 UTC
Sent 28 Oct 2026, 17:07:09 UTC
Report deadline 2 Nov 2026, 17:07:09 UTC
Received 28 Oct 2026, 17:49:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 25 min 7 sec
CPU time 23 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.05 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:24:23 (4396): wrapper (7.9.26016): starting
18:24:23 (4396): 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
18:24:24 (4396): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:24:24 (4396): 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\1\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\1\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
18:48:47 (4396): C:/Windows/system32/cmd.exe exited; CPU time 1417.687500
18:48:47 (4396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 20696780 bytes.
Dumping objects ->
{3835554} normal block at 0x0000015151F10C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000015150305E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000015150305DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000015150306410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x00000151503063A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000015151F5ABA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x00000151502F76E0, 83 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) : {3835465} normal block at 0x00000151503019F0, 8 bytes long.
 Data: <  (PQ   > 00 00 28 50 51 01 00 00 
{3834684} normal block at 0x00000151502F72F0, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000015150301900, 8 bytes long.
 Data: < &#235;=PQ   > 80 EB 3D 50 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000151503022D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000151502F7AD0, 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 0x0000015150306880, 16 bytes long.
 Data: <&#232;x0PQ           > E8 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015150306E20, 16 bytes long.
 Data: <&#192;x0PQ           > C0 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000151502FFE10, 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 0x0000015150306DD0, 16 bytes long.
 Data: < x0PQ           > 98 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015150307190, 16 bytes long.
 Data: <px0PQ           > 70 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015150306C40, 16 bytes long.
 Data: <Hx0PQ           > 48 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015150307460, 16 bytes long.
 Data: < x0PQ           > 20 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015150305F40, 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 0x0000015150306830, 16 bytes long.
 Data: <x&#182;.PQ           > 78 B6 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000151502FFDB0, 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 0x0000015150306BF0, 16 bytes long.
 Data: <P&#182;.PQ           > 50 B6 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000151503067E0, 16 bytes long.
 Data: <(&#182;.PQ           > 28 B6 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015150307140, 16 bytes long.
 Data: < &#182;.PQ           > 00 B6 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015150306AB0, 16 bytes long.
 Data: <&#216;&#181;.PQ           > D8 B5 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015150307320, 16 bytes long.
 Data: <&#176;&#181;.PQ           > B0 B5 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015150306790, 16 bytes long.
 Data: < &#181;.PQ           > 88 B5 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015150300C50, 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 0x0000015150306740, 16 bytes long.
 Data: <`&#181;.PQ           > 60 B5 2E 50 51 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000151502EB560, 320 bytes long.
 Data: <@g0PQ   P 0PQ   > 40 67 30 50 51 01 00 00 50 0C 30 50 51 01 00 00 
{274} normal block at 0x00000151503069C0, 16 bytes long.
 Data: < x0PQ           > 00 78 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000151503070A0, 16 bytes long.
 Data: <&#216;w0PQ           > D8 77 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015150300890, 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 0x0000015150306D80, 16 bytes long.
 Data: <&#176;w0PQ           > B0 77 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015150300BF0, 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 0x00000151503066F0, 16 bytes long.
 Data: <&#248;v0PQ           > F8 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015150306C90, 16 bytes long.
 Data: <&#208;v0PQ           > D0 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000151503068D0, 16 bytes long.
 Data: <&#168;v0PQ           > A8 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015150306B00, 16 bytes long.
 Data: < v0PQ           > 80 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015150306B50, 16 bytes long.
 Data: <Xv0PQ           > 58 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015150307280, 16 bytes long.
 Data: <0v0PQ           > 30 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000151503066A0, 16 bytes long.
 Data: <&#208;^0PQ           > D0 5E 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015150305ED0, 40 bytes long.
 Data: <&#160;f0PQ   &#160;&#171;&#245;QQ   > A0 66 30 50 51 01 00 00 A0 AB F5 51 51 01 00 00 
{260} normal block at 0x0000015150306D30, 16 bytes long.
 Data: < v0PQ           > 10 76 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015150306EC0, 16 bytes long.
 Data: <&#232;u0PQ           > E8 75 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015150300AD0, 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 0x0000015150306970, 16 bytes long.
 Data: <&#192;u0PQ           > C0 75 30 50 51 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000151503075C0, 992 bytes long.
 Data: <pi0PQ   &#208; 0PQ   > 70 69 30 50 51 01 00 00 D0 0A 30 50 51 01 00 00 
{92} normal block at 0x0000015150300590, 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 0x0000015150301AE0, 16 bytes long.
 Data: <&#160; /PQ           > A0 14 2F 50 51 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000151502F14A0, 40 bytes long.
 Data: <&#224; 0PQ     0PQ   > E0 1A 30 50 51 01 00 00 90 05 30 50 51 01 00 00 
{69} normal block at 0x0000015150301C70, 16 bytes long.
 Data: < &#234;&#130;&#134;&#247;           > 80 EA 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015150301180, 16 bytes long.
 Data: <@&#233;&#130;&#134;&#247;           > 40 E9 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015150301090, 16 bytes long.
 Data: <&#248;W &#134;&#247;           > F8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015150301310, 16 bytes long.
 Data: <&#216;W &#134;&#247;           > D8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015150301810, 16 bytes long.
 Data: <P  &#134;&#247;           > 50 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000151503015E0, 16 bytes long.
 Data: <0  &#134;&#247;           > 30 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015150301130, 16 bytes long.
 Data: <&#224;  &#134;&#247;           > E0 02 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000151503019A0, 16 bytes long.
 Data: <   &#134;&#247;           > 10 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000151503018B0, 16 bytes long.
 Data: <p  &#134;&#247;           > 70 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015150301360, 16 bytes long.
 Data: < &#192;}&#134;&#247;           > 18 C0 7D 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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