Task 38667879

Name test_617-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6683_0
Workunit 31610459
Created 25 Oct 2026, 9:46:30 UTC
Sent 25 Oct 2026, 9:47:21 UTC
Report deadline 30 Oct 2026, 9:47:21 UTC
Received 25 Oct 2026, 10:16:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 28 min 54 sec
CPU time 27 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.49 MB
Peak swap size 5.38 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:48:27 (2348): wrapper (7.9.26016): starting
10:48:27 (2348): 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
10:48:28 (2348): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:48:28 (2348): 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
11:16:19 (2348): C:/Windows/system32/cmd.exe exited; CPU time 1659.859375
11:16:19 (2348): 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: 23547429 bytes.
Dumping objects ->
{3835240} normal block at 0x00000276A22B5300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000276A22B58B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000276A22B57D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000276A22B5610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000276A22B5530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x00000276A4066F40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000276A407F890, 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) : {3835151} normal block at 0x00000276A22ADA80, 8 bytes long.
 Data: <  &#217;&#163;v   > 00 00 D9 A3 76 02 00 00 
{3834545} normal block at 0x00000276A407FE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000276A22AE430, 8 bytes long.
 Data: <&#240;L+&#162;v   > F0 4C 2B A2 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000276A22B2320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000276A22A6880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000276A22B64C0, 16 bytes long.
 Data: < q+&#162;v           > 18 71 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000276A22B6100, 16 bytes long.
 Data: <&#240;p+&#162;v           > F0 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000276A22AFF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000276A22B6470, 16 bytes long.
 Data: <&#200;p+&#162;v           > C8 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000276A22B60B0, 16 bytes long.
 Data: <&#160;p+&#162;v           > A0 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000276A22B6010, 16 bytes long.
 Data: <xp+&#162;v           > 78 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000276A22B6790, 16 bytes long.
 Data: <Pp+&#162;v           > 50 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000276A22B5920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000276A22B5FC0, 16 bytes long.
 Data: <X&#249;)&#162;v           > 58 F9 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000276A22B0330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000276A22B6D30, 16 bytes long.
 Data: <0&#249;)&#162;v           > 30 F9 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000276A22B6510, 16 bytes long.
 Data: < &#249;)&#162;v           > 08 F9 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000276A22B5F70, 16 bytes long.
 Data: <&#224;&#248;)&#162;v           > E0 F8 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000276A22B6740, 16 bytes long.
 Data: <&#184;&#248;)&#162;v           > B8 F8 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000276A22B5E30, 16 bytes long.
 Data: < &#248;)&#162;v           > 90 F8 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000276A22B6A10, 16 bytes long.
 Data: <h&#248;)&#162;v           > 68 F8 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000276A22B0630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000276A22B66F0, 16 bytes long.
 Data: <@&#248;)&#162;v           > 40 F8 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000276A229F840, 320 bytes long.
 Data: <&#240;f+&#162;v   0 +&#162;v   > F0 66 2B A2 76 02 00 00 30 06 2B A2 76 02 00 00 
{276} normal block at 0x00000276A22B6D80, 16 bytes long.
 Data: <0p+&#162;v           > 30 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000276A22B6560, 16 bytes long.
 Data: < p+&#162;v           > 08 70 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000276A22B02D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000276A22B6AB0, 16 bytes long.
 Data: <&#224;o+&#162;v           > E0 6F 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000276A22B0270, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000276A22B6240, 16 bytes long.
 Data: <(o+&#162;v           > 28 6F 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000276A22B6B00, 16 bytes long.
 Data: < o+&#162;v           > 00 6F 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000276A22B6420, 16 bytes long.
 Data: <&#216;n+&#162;v           > D8 6E 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000276A22B63D0, 16 bytes long.
 Data: <&#176;n+&#162;v           > B0 6E 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000276A22B6A60, 16 bytes long.
 Data: < n+&#162;v           > 88 6E 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000276A22B6BF0, 16 bytes long.
 Data: <`n+&#162;v           > 60 6E 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000276A22B6290, 16 bytes long.
 Data: <&#160;U+&#162;v           > A0 55 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000276A22B55A0, 40 bytes long.
 Data: < b+&#162;v   @o &#164;v   > 90 62 2B A2 76 02 00 00 40 6F 06 A4 76 02 00 00 
{262} normal block at 0x00000276A22B62E0, 16 bytes long.
 Data: <@n+&#162;v           > 40 6E 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000276A22B6060, 16 bytes long.
 Data: < n+&#162;v           > 18 6E 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000276A22B03F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000276A22B5F20, 16 bytes long.
 Data: <&#240;m+&#162;v           > F0 6D 2B A2 76 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000276A22B6DF0, 992 bytes long.
 Data: < _+&#162;v   &#240; +&#162;v   > 20 5F 2B A2 76 02 00 00 F0 03 2B A2 76 02 00 00 
{94} normal block at 0x00000276A22B0390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000276A22AE840, 16 bytes long.
 Data: <p&#243;)&#162;v           > 70 F3 29 A2 76 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000276A229F370, 40 bytes long.
 Data: <@&#232;*&#162;v     +&#162;v   > 40 E8 2A A2 76 02 00 00 90 03 2B A2 76 02 00 00 
{71} normal block at 0x00000276A22ADBC0, 16 bytes long.
 Data: < &#234;7G&#246;           > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000276A22AE250, 16 bytes long.
 Data: <@&#233;7G&#246;           > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000276A22AD9E0, 16 bytes long.
 Data: <&#248;W4G&#246;           > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000276A22AE0C0, 16 bytes long.
 Data: <&#216;W4G&#246;           > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000276A22ADCB0, 16 bytes long.
 Data: <P 4G&#246;           > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000276A22AD8F0, 16 bytes long.
 Data: <0 4G&#246;           > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000276A22AE070, 16 bytes long.
 Data: <&#224; 4G&#246;           > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000276A22AE020, 16 bytes long.
 Data: <  4G&#246;           > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000276A22AE3E0, 16 bytes long.
 Data: <p 4G&#246;           > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000276A22ADFD0, 16 bytes long.
 Data: < &#192;2G&#246;           > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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