Task 38695540

Name test_50-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9193_0
Workunit 31636239
Created 31 Oct 2026, 12:05:45 UTC
Sent 31 Oct 2026, 12:05:49 UTC
Report deadline 5 Nov 2026, 12:05:49 UTC
Received 31 Oct 2026, 13:39:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648979
Run time 1 hours 33 min 13 sec
CPU time 1 hours 29 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,141.69 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.45 MB
Peak swap size 6.68 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:07:50 (1212): wrapper (7.9.26016): starting
13:07:50 (1212): 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
13:07:51 (1212): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:07:51 (1212): 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
14:39:25 (1212): C:/Windows/system32/cmd.exe exited; CPU time 5383.875000
14:39:25 (1212): 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: 94532339 bytes.
Dumping objects ->
{3835281} normal block at 0x00000265A498C570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x00000265A498C260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000265A2CB45C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x00000265A2CB4B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000265A2CB46A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x00000265A49D56F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000265A49EE260, 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) : {3835192} normal block at 0x00000265A2CAECB0, 8 bytes long.
 Data: <   &#163;e   > 00 00 10 A3 65 02 00 00 
{3834565} normal block at 0x00000265A49EE3C0, 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 0x00000265A2CAEC10, 8 bytes long.
 Data: <`X&#166;&#164;e   > 60 58 A6 A4 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000265A2CB1220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000265A2C9ECF0, 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 0x00000265A2CB5B40, 16 bytes long.
 Data: <&#216;c&#203;&#162;e           > D8 63 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000265A2CB5780, 16 bytes long.
 Data: <&#176;c&#203;&#162;e           > B0 63 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000265A2CAFEF0, 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 0x00000265A2CB5AF0, 16 bytes long.
 Data: < c&#203;&#162;e           > 88 63 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000265A2CB5E10, 16 bytes long.
 Data: <`c&#203;&#162;e           > 60 63 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000265A2CB53C0, 16 bytes long.
 Data: <8c&#203;&#162;e           > 38 63 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000265A2CB5AA0, 16 bytes long.
 Data: < c&#203;&#162;e           > 10 63 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000265A2CB4780, 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 0x00000265A2CB5370, 16 bytes long.
 Data: <&#200;&#228;&#202;&#162;e           > C8 E4 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000265A2CAFE90, 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 0x00000265A2CB5A50, 16 bytes long.
 Data: <&#160;&#228;&#202;&#162;e           > A0 E4 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000265A2CB5230, 16 bytes long.
 Data: <x&#228;&#202;&#162;e           > 78 E4 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000265A2CB5910, 16 bytes long.
 Data: <P&#228;&#202;&#162;e           > 50 E4 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000265A2CB5320, 16 bytes long.
 Data: <(&#228;&#202;&#162;e           > 28 E4 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000265A2CB5640, 16 bytes long.
 Data: < &#228;&#202;&#162;e           > 00 E4 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000265A2CB55A0, 16 bytes long.
 Data: <&#216;&#227;&#202;&#162;e           > D8 E3 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000265A2CB00D0, 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 0x00000265A2CB5500, 16 bytes long.
 Data: <&#176;&#227;&#202;&#162;e           > B0 E3 CA A2 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000265A2CAE3B0, 320 bytes long.
 Data: < U&#203;&#162;e   &#208; &#203;&#162;e   > 00 55 CB A2 65 02 00 00 D0 00 CB A2 65 02 00 00 
{274} normal block at 0x00000265A2CB58C0, 16 bytes long.
 Data: <&#240;b&#203;&#162;e           > F0 62 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000265A2CB5410, 16 bytes long.
 Data: <&#200;b&#203;&#162;e           > C8 62 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000265A2CB01F0, 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 0x00000265A2CB5280, 16 bytes long.
 Data: <&#160;b&#203;&#162;e           > A0 62 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000265A2CAFDD0, 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 0x00000265A2CB55F0, 16 bytes long.
 Data: <&#232;a&#203;&#162;e           > E8 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000265A2CB51E0, 16 bytes long.
 Data: <&#192;a&#203;&#162;e           > C0 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265A2CB59B0, 16 bytes long.
 Data: < a&#203;&#162;e           > 98 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000265A2CB5820, 16 bytes long.
 Data: <pa&#203;&#162;e           > 70 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000265A2CB5DC0, 16 bytes long.
 Data: <Ha&#203;&#162;e           > 48 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000265A2CB5190, 16 bytes long.
 Data: < a&#203;&#162;e           > 20 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000265A2CB52D0, 16 bytes long.
 Data: < G&#203;&#162;e           > 10 47 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000265A2CB4710, 40 bytes long.
 Data: <&#208;R&#203;&#162;e   &#240;V &#164;e   > D0 52 CB A2 65 02 00 00 F0 56 9D A4 65 02 00 00 
{260} normal block at 0x00000265A2CB5550, 16 bytes long.
 Data: < a&#203;&#162;e           > 00 61 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000265A2CB5C80, 16 bytes long.
 Data: <&#216;`&#203;&#162;e           > D8 60 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000265A2CAF9B0, 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 0x00000265A2CB5870, 16 bytes long.
 Data: <&#176;`&#203;&#162;e           > B0 60 CB A2 65 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000265A2CB60B0, 992 bytes long.
 Data: <pX&#203;&#162;e   &#176;&#249;&#202;&#162;e   > 70 58 CB A2 65 02 00 00 B0 F9 CA A2 65 02 00 00 
{92} normal block at 0x00000265A2CAFCB0, 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 0x00000265A2CAEE40, 16 bytes long.
 Data: <`&#230;&#201;&#162;e           > 60 E6 C9 A2 65 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000265A2C9E660, 40 bytes long.
 Data: <@&#238;&#202;&#162;e   &#176;&#252;&#202;&#162;e   > 40 EE CA A2 65 02 00 00 B0 FC CA A2 65 02 00 00 
{69} normal block at 0x00000265A2CAF110, 16 bytes long.
 Data: < &#234;&#212;U&#246;           > 80 EA D4 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000265A2CAEB70, 16 bytes long.
 Data: <@&#233;&#212;U&#246;           > 40 E9 D4 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000265A2CAE670, 16 bytes long.
 Data: <&#248;W&#209;U&#246;           > F8 57 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000265A2CAE6C0, 16 bytes long.
 Data: <&#216;W&#209;U&#246;           > D8 57 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000265A2CAEB20, 16 bytes long.
 Data: <P &#209;U&#246;           > 50 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000265A2CAE710, 16 bytes long.
 Data: <0 &#209;U&#246;           > 30 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000265A2CAEF80, 16 bytes long.
 Data: <&#224; &#209;U&#246;           > E0 02 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000265A2CAEA80, 16 bytes long.
 Data: <  &#209;U&#246;           > 10 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000265A2CAF200, 16 bytes long.
 Data: <p &#209;U&#246;           > 70 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000265A2CAF160, 16 bytes long.
 Data: < &#192;&#207;U&#246;           > 18 C0 CF 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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