Task 38688758

Name test_206-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0044_0
Workunit 31630081
Created 28 Oct 2026, 15:59:53 UTC
Sent 28 Oct 2026, 15:59:55 UTC
Report deadline 2 Nov 2026, 15:59:55 UTC
Received 28 Oct 2026, 16:38:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 53 sec
CPU time 27 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.77 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:08:47 (19308): wrapper (7.9.26016): starting
16:08:47 (19308): 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
16:08:48 (19308): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:08:48 (19308): 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
16:37:35 (19308): C:/Windows/system32/cmd.exe exited; CPU time 1637.296875
16:37:35 (19308): 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: 26310055 bytes.
Dumping objects ->
{3835306} normal block at 0x00000237CDBE3750, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000237CBEE4A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x00000237CBEE4670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x00000237CBEE4C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000237CBEE4980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x00000237CDB54A80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000237CDB6EAA0, 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) : {3835217} normal block at 0x00000237CBEE0330, 8 bytes long.
 Data: <  &#235;&#203;7   > 00 00 EB CB 37 02 00 00 
{3834571} normal block at 0x00000237CDB6EE10, 102 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 0x00000237CBEDFF20, 8 bytes long.
 Data: < &#161;&#240;&#203;7   > 10 A1 F0 CB 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000237CBEE08F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000237CBED6AB0, 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 0x00000237CBEE54E0, 16 bytes long.
 Data: <8f&#238;&#203;7           > 38 66 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000237CBEE5490, 16 bytes long.
 Data: < f&#238;&#203;7           > 10 66 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000237CBEDEC50, 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 0x00000237CBEE5BC0, 16 bytes long.
 Data: <&#232;e&#238;&#203;7           > E8 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000237CBEE5940, 16 bytes long.
 Data: <&#192;e&#238;&#203;7           > C0 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000237CBEE5440, 16 bytes long.
 Data: < e&#238;&#203;7           > 98 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000237CBEE5C60, 16 bytes long.
 Data: <pe&#238;&#203;7           > 70 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000237CBEE4830, 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 0x00000237CBEE5E40, 16 bytes long.
 Data: <&#168; &#237;&#203;7           > A8 8F ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000237CBEDEFB0, 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 0x00000237CBEE5FD0, 16 bytes long.
 Data: <  &#237;&#203;7           > 80 8F ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000237CBEE5A30, 16 bytes long.
 Data: <X &#237;&#203;7           > 58 8F ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000237CBEE58F0, 16 bytes long.
 Data: <0 &#237;&#203;7           > 30 8F ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000237CBEE5350, 16 bytes long.
 Data: <  &#237;&#203;7           > 08 8F ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000237CBEE56C0, 16 bytes long.
 Data: <&#224;&#142;&#237;&#203;7           > E0 8E ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000237CBEE53A0, 16 bytes long.
 Data: <&#184;&#142;&#237;&#203;7           > B8 8E ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000237CBEDF550, 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 0x00000237CBEE6110, 16 bytes long.
 Data: < &#142;&#237;&#203;7           > 90 8E ED CB 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000237CBED8E90, 320 bytes long.
 Data: < a&#238;&#203;7   P&#245;&#237;&#203;7   > 10 61 EE CB 37 02 00 00 50 F5 ED CB 37 02 00 00 
{274} normal block at 0x00000237CBEE61B0, 16 bytes long.
 Data: <Pe&#238;&#203;7           > 50 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000237CBEE62A0, 16 bytes long.
 Data: <(e&#238;&#203;7           > 28 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000237CBEDEBF0, 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 0x00000237CBEE5AD0, 16 bytes long.
 Data: < e&#238;&#203;7           > 00 65 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000237CBEDEB90, 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 0x00000237CBEE6250, 16 bytes long.
 Data: <Hd&#238;&#203;7           > 48 64 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000237CBEE5B20, 16 bytes long.
 Data: < d&#238;&#203;7           > 20 64 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000237CBEE5990, 16 bytes long.
 Data: <&#248;c&#238;&#203;7           > F8 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000237CBEE58A0, 16 bytes long.
 Data: <&#208;c&#238;&#203;7           > D0 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000237CBEE5580, 16 bytes long.
 Data: <&#168;c&#238;&#203;7           > A8 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000237CBEE6200, 16 bytes long.
 Data: < c&#238;&#203;7           > 80 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000237CBEE5850, 16 bytes long.
 Data: < L&#238;&#203;7           > 90 4C EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000237CBEE4C90, 40 bytes long.
 Data: <PX&#238;&#203;7    J&#181;&#205;7   > 50 58 EE CB 37 02 00 00 80 4A B5 CD 37 02 00 00 
{260} normal block at 0x00000237CBEE5C10, 16 bytes long.
 Data: <`c&#238;&#203;7           > 60 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000237CBEE5EE0, 16 bytes long.
 Data: <8c&#238;&#203;7           > 38 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000237CBEDEB30, 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 0x00000237CBEE5800, 16 bytes long.
 Data: < c&#238;&#203;7           > 10 63 EE CB 37 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000237CBEE6310, 992 bytes long.
 Data: < X&#238;&#203;7   0&#235;&#237;&#203;7   > 00 58 EE CB 37 02 00 00 30 EB ED CB 37 02 00 00 
{92} normal block at 0x00000237CBEDF010, 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 0x00000237CBEDFED0, 16 bytes long.
 Data: <@&#199;&#236;&#203;7           > 40 C7 EC CB 37 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000237CBECC740, 40 bytes long.
 Data: <&#208;&#254;&#237;&#203;7    &#240;&#237;&#203;7   > D0 FE ED CB 37 02 00 00 10 F0 ED CB 37 02 00 00 
{69} normal block at 0x00000237CBEDF6B0, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000237CBEDF980, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000237CBEDFB10, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000237CBEDFAC0, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000237CBEE0100, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000237CBEDF660, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000237CBEDF890, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000237CBEE0560, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000237CBEE0010, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000237CBEE0290, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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