Task 38692301

Name test_510-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6305_0
Workunit 31633219
Created 29 Oct 2026, 21:03:54 UTC
Sent 29 Oct 2026, 21:03:58 UTC
Report deadline 3 Nov 2026, 21:03:58 UTC
Received 29 Oct 2026, 21:34:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 29 min 49 sec
CPU time 26 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.64 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:05:24 (21992): wrapper (7.9.26016): starting
22:05:24 (21992): 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
22:05:27 (21992): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:05:27 (21992): 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 'D:\Boinc\slots\13\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 'D:\Boinc\slots\13\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
22:33:56 (21992): C:/Windows/system32/cmd.exe exited; CPU time 1580.562500
22:33:56 (21992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 34905225 bytes.
Dumping objects ->
{3835502} normal block at 0x000002C5850D84B0, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835491} normal block at 0x000002C586D966D0, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835480} normal block at 0x000002C586D96D90, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835469} normal block at 0x000002C586D96CD0, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835458} normal block at 0x000002C586D96B50, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835427} normal block at 0x000002C5850D8E50, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x000002C5850AD670, 8 bytes long.
 Data: <  &#186;&#134;&#197;   > 00 00 BA 86 C5 02 00 00 
{3833969} normal block at 0x000002C5850ACCC0, 8 bytes long.
 Data: <&#224;&#189; &#133;&#197;   > E0 BD 0D 85 C5 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002C5850B15A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002C5850A5B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002C5850B58C0, 16 bytes long.
 Data: <&#232;b &#133;&#197;           > E8 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002C5850B55F0, 16 bytes long.
 Data: <&#192;b &#133;&#197;           > C0 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002C5850AEC80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002C5850B52D0, 16 bytes long.
 Data: < b &#133;&#197;           > 98 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C5850B55A0, 16 bytes long.
 Data: <pb &#133;&#197;           > 70 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C5850B50A0, 16 bytes long.
 Data: <Hb &#133;&#197;           > 48 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C5850B5550, 16 bytes long.
 Data: < b &#133;&#197;           > 20 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C5850AF4C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002C5850B5910, 16 bytes long.
 Data: <(&#246;	&#133;&#197;           > 28 F6 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C5850AEEC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002C5850B5B90, 16 bytes long.
 Data: < &#246;	&#133;&#197;           > 00 F6 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C5850B5E10, 16 bytes long.
 Data: <&#216;&#245;	&#133;&#197;           > D8 F5 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C5850B5500, 16 bytes long.
 Data: <&#176;&#245;	&#133;&#197;           > B0 F5 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C5850B5A50, 16 bytes long.
 Data: < &#245;	&#133;&#197;           > 88 F5 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C5850B5690, 16 bytes long.
 Data: <`&#245;	&#133;&#197;           > 60 F5 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C5850B5050, 16 bytes long.
 Data: <8&#245;	&#133;&#197;           > 38 F5 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C5850AEC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002C5850B5190, 16 bytes long.
 Data: < &#245;	&#133;&#197;           > 10 F5 09 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C58509F510, 320 bytes long.
 Data: < Q &#133;&#197;    &#236; &#133;&#197;   > 90 51 0B 85 C5 02 00 00 20 EC 0A 85 C5 02 00 00 
{280} normal block at 0x000002C5850B54B0, 16 bytes long.
 Data: < b &#133;&#197;           > 00 62 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C5850B51E0, 16 bytes long.
 Data: <&#216;a &#133;&#197;           > D8 61 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C5850AE4A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002C5850B5D20, 16 bytes long.
 Data: <&#176;a &#133;&#197;           > B0 61 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C5850AE500, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002C5850B5460, 16 bytes long.
 Data: <&#248;` &#133;&#197;           > F8 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C5850B5D70, 16 bytes long.
 Data: <&#208;` &#133;&#197;           > D0 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C5850B5B40, 16 bytes long.
 Data: <&#168;` &#133;&#197;           > A8 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C5850B5960, 16 bytes long.
 Data: < ` &#133;&#197;           > 80 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C5850B5AF0, 16 bytes long.
 Data: <X` &#133;&#197;           > 58 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C5850B5F50, 16 bytes long.
 Data: <0` &#133;&#197;           > 30 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C5850B5410, 16 bytes long.
 Data: <&#176;&#248; &#133;&#197;           > B0 F8 0A 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C5850AF8B0, 40 bytes long.
 Data: < T &#133;&#197;   P&#142; &#133;&#197;   > 10 54 0B 85 C5 02 00 00 50 8E 0D 85 C5 02 00 00 
{266} normal block at 0x000002C5850B5640, 16 bytes long.
 Data: < ` &#133;&#197;           > 10 60 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C5850B5F00, 16 bytes long.
 Data: <&#232;_ &#133;&#197;           > E8 5F 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C5850AEBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002C5850B5140, 16 bytes long.
 Data: <&#192;_ &#133;&#197;           > C0 5F 0B 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C5850B5FC0, 992 bytes long.
 Data: <@Q &#133;&#197;   &#192;&#235; &#133;&#197;   > 40 51 0B 85 C5 02 00 00 C0 EB 0A 85 C5 02 00 00 
{98} normal block at 0x000002C5850AED40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002C5850ACAE0, 16 bytes long.
 Data: <&#160;&#245; &#133;&#197;           > A0 F5 0A 85 C5 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002C5850AF5A0, 40 bytes long.
 Data: <&#224;&#202; &#133;&#197;   @&#237; &#133;&#197;   > E0 CA 0A 85 C5 02 00 00 40 ED 0A 85 C5 02 00 00 
{75} normal block at 0x000002C5850AD8A0, 16 bytes long.
 Data: < &#234; 3&#246;           > 80 EA 07 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002C5850AD800, 16 bytes long.
 Data: <@&#233; 3&#246;           > 40 E9 07 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002C5850ACFE0, 16 bytes long.
 Data: <&#248;W 3&#246;           > F8 57 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002C5850AD3A0, 16 bytes long.
 Data: <&#216;W 3&#246;           > D8 57 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002C5850ACD60, 16 bytes long.
 Data: <P  3&#246;           > 50 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C5850AD260, 16 bytes long.
 Data: <0  3&#246;           > 30 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C5850ACB80, 16 bytes long.
 Data: <&#224;  3&#246;           > E0 02 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C5850AD4E0, 16 bytes long.
 Data: <   3&#246;           > 10 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C5850ACA40, 16 bytes long.
 Data: <p  3&#246;           > 70 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C5850AD7B0, 16 bytes long.
 Data: < &#192; 3&#246;           > 18 C0 02 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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