Task 38674001

Name test_786-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3388_1
Workunit 31610223
Created 26 Oct 2026, 4:02:17 UTC
Sent 26 Oct 2026, 4:02:20 UTC
Report deadline 31 Oct 2026, 4:02:20 UTC
Received 26 Oct 2026, 4:20:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609285
Run time 17 min 42 sec
CPU time 15 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 111,632.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.20 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:03:28 (43116): wrapper (7.9.26016): starting
21:03:28 (43116): 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
21:03:29 (43116): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:03:29 (43116): 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\4\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\4\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
21:20:18 (43116): C:/Windows/system32/cmd.exe exited; CPU time 938.734375
21:20:18 (43116): 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: 21974301 bytes.
Dumping objects ->
{3835205} normal block at 0x000001A49B1351E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001A49B134BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001A49B135250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x000001A49B135170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001A49B135100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000001A49CEA7290, 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) : {3835117} normal block at 0x000001A49B12D780, 8 bytes long.
 Data: <  l&#155;&#164;   > 00 00 6C 9B A4 01 00 00 
{3833967} normal block at 0x000001A49B12D730, 8 bytes long.
 Data: <pF &#155;&#164;   > 70 46 13 9B A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A49B131890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A49B126000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001A49B136660, 16 bytes long.
 Data: <Hj &#155;&#164;           > 48 6A 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A49B136020, 16 bytes long.
 Data: < j &#155;&#164;           > 20 6A 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A49B12F120, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001A49B1358F0, 16 bytes long.
 Data: <&#248;i &#155;&#164;           > F8 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A49B135DF0, 16 bytes long.
 Data: <&#208;i &#155;&#164;           > D0 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A49B135AD0, 16 bytes long.
 Data: <&#168;i &#155;&#164;           > A8 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A49B135A80, 16 bytes long.
 Data: < i &#155;&#164;           > 80 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A49B134DF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001A49B135A30, 16 bytes long.
 Data: <&#168;&#183; &#155;&#164;           > A8 B7 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A49B12F9C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001A49B136200, 16 bytes long.
 Data: < &#183; &#155;&#164;           > 80 B7 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A49B135940, 16 bytes long.
 Data: <X&#183; &#155;&#164;           > 58 B7 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A49B136110, 16 bytes long.
 Data: <0&#183; &#155;&#164;           > 30 B7 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A49B135BC0, 16 bytes long.
 Data: < &#183; &#155;&#164;           > 08 B7 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A49B135B70, 16 bytes long.
 Data: <&#224;&#182; &#155;&#164;           > E0 B6 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A49B1363E0, 16 bytes long.
 Data: <&#184;&#182; &#155;&#164;           > B8 B6 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A49B12F8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001A49B135990, 16 bytes long.
 Data: < &#182; &#155;&#164;           > 90 B6 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A49B11B690, 320 bytes long.
 Data: < Y &#155;&#164;   &#160;&#248; &#155;&#164;   > 90 59 13 9B A4 01 00 00 A0 F8 12 9B A4 01 00 00 
{279} normal block at 0x000001A49B136390, 16 bytes long.
 Data: <`i &#155;&#164;           > 60 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A49B1365C0, 16 bytes long.
 Data: <8i &#155;&#164;           > 38 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A49B12F4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001A49B135F80, 16 bytes long.
 Data: < i &#155;&#164;           > 10 69 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A49B12F0C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001A49B136610, 16 bytes long.
 Data: <Xh &#155;&#164;           > 58 68 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A49B135760, 16 bytes long.
 Data: <0h &#155;&#164;           > 30 68 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A49B1360C0, 16 bytes long.
 Data: < h &#155;&#164;           > 08 68 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A49B1362A0, 16 bytes long.
 Data: <&#224;g &#155;&#164;           > E0 67 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A49B135DA0, 16 bytes long.
 Data: <&#184;g &#155;&#164;           > B8 67 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A49B136340, 16 bytes long.
 Data: < g &#155;&#164;           > 90 67 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A49B135B20, 16 bytes long.
 Data: <0L &#155;&#164;           > 30 4C 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A49B134C30, 40 bytes long.
 Data: < [ &#155;&#164;    r&#234;&#156;&#164;   > 20 5B 13 9B A4 01 00 00 90 72 EA 9C A4 01 00 00 
{265} normal block at 0x000001A49B1362F0, 16 bytes long.
 Data: <pg &#155;&#164;           > 70 67 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A49B135F30, 16 bytes long.
 Data: <Hg &#155;&#164;           > 48 67 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A49B12F240, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001A49B136570, 16 bytes long.
 Data: < g &#155;&#164;           > 20 67 13 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A49B136720, 992 bytes long.
 Data: <pe &#155;&#164;   @&#242; &#155;&#164;   > 70 65 13 9B A4 01 00 00 40 F2 12 9B A4 01 00 00 
{97} normal block at 0x000001A49B12F6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001A49B12DE60, 16 bytes long.
 Data: <&#192;&#240; &#155;&#164;           > C0 F0 11 9B A4 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A49B11F0C0, 40 bytes long.
 Data: <`&#222; &#155;&#164;   &#192;&#246; &#155;&#164;   > 60 DE 12 9B A4 01 00 00 C0 F6 12 9B A4 01 00 00 
{74} normal block at 0x000001A49B12DB40, 16 bytes long.
 Data: < &#234;.)&#246;           > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A49B12E270, 16 bytes long.
 Data: <@&#233;.)&#246;           > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A49B12E0E0, 16 bytes long.
 Data: <&#248;W+)&#246;           > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A49B12DBE0, 16 bytes long.
 Data: <&#216;W+)&#246;           > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A49B12E220, 16 bytes long.
 Data: <P +)&#246;           > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A49B12D4B0, 16 bytes long.
 Data: <0 +)&#246;           > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A49B12D9B0, 16 bytes long.
 Data: <&#224; +)&#246;           > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A49B12D690, 16 bytes long.
 Data: <  +)&#246;           > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A49B12D640, 16 bytes long.
 Data: <p +)&#246;           > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A49B12D960, 16 bytes long.
 Data: < &#192;))&#246;           > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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