Task 38689375

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2706_0
Workunit 31630638
Created 28 Oct 2026, 20:34:54 UTC
Sent 28 Oct 2026, 20:34:57 UTC
Report deadline 2 Nov 2026, 20:34:57 UTC
Received 28 Oct 2026, 20:59:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 20 min 8 sec
CPU time 19 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.34 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:35:46 (24940): wrapper (7.9.26016): starting
16:35:46 (24940): 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
16:35:47 (24940): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:35:47 (24940): 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
16:55:34 (24940): C:/Windows/system32/cmd.exe exited; CPU time 1145.234375
16:55:34 (24940): 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: 22860181 bytes.
Dumping objects ->
{3835255} normal block at 0x0000018A66436980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000018A664371D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000018A66436830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000018A664368A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000018A66436EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000018A681E7770, 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) : {3835167} normal block at 0x0000018A6640E130, 8 bytes long.
 Data: <  &#162;f&#138;   > 00 00 A2 66 8A 01 00 00 
{3833967} normal block at 0x0000018A6640E090, 8 bytes long.
 Data: <&#224; 'h&#138;   > E0 04 27 68 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018A663E0420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018A663C8670, 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 0x0000018A66413490, 16 bytes long.
 Data: <&#168;DAf&#138;           > A8 44 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018A66413C10, 16 bytes long.
 Data: < DAf&#138;           > 80 44 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018A663E0E10, 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 0x0000018A66413EE0, 16 bytes long.
 Data: <XDAf&#138;           > 58 44 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018A66413260, 16 bytes long.
 Data: <0DAf&#138;           > 30 44 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018A664134E0, 16 bytes long.
 Data: < DAf&#138;           > 08 44 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018A664135D0, 16 bytes long.
 Data: <&#224;CAf&#138;           > E0 43 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018A6640F880, 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 0x0000018A66413AD0, 16 bytes long.
 Data: <X0Af&#138;           > 58 30 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018A663E0F30, 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 0x0000018A66413DF0, 16 bytes long.
 Data: <00Af&#138;           > 30 30 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018A66413A30, 16 bytes long.
 Data: < 0Af&#138;           > 08 30 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018A66413BC0, 16 bytes long.
 Data: <&#224;/Af&#138;           > E0 2F 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018A66413710, 16 bytes long.
 Data: <&#184;/Af&#138;           > B8 2F 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018A664133A0, 16 bytes long.
 Data: < /Af&#138;           > 90 2F 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018A66413990, 16 bytes long.
 Data: <h/Af&#138;           > 68 2F 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018A663E1AD0, 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 0x0000018A66413800, 16 bytes long.
 Data: <@/Af&#138;           > 40 2F 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018A66412F40, 320 bytes long.
 Data: < 8Af&#138;   &#208; >f&#138;   > 00 38 41 66 8A 01 00 00 D0 1A 3E 66 8A 01 00 00 
{279} normal block at 0x0000018A66413350, 16 bytes long.
 Data: <&#192;CAf&#138;           > C0 43 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018A66413940, 16 bytes long.
 Data: < CAf&#138;           > 98 43 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018A663E1B90, 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 0x0000018A66413670, 16 bytes long.
 Data: <pCAf&#138;           > 70 43 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018A663E13B0, 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 0x0000018A66413B20, 16 bytes long.
 Data: <&#184;BAf&#138;           > B8 42 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018A66414070, 16 bytes long.
 Data: < BAf&#138;           > 90 42 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018A664139E0, 16 bytes long.
 Data: <hBAf&#138;           > 68 42 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018A66413580, 16 bytes long.
 Data: <@BAf&#138;           > 40 42 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018A66413760, 16 bytes long.
 Data: < BAf&#138;           > 18 42 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018A66413CB0, 16 bytes long.
 Data: <&#240;AAf&#138;           > F0 41 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018A66413E90, 16 bytes long.
 Data: <p&#252;@f&#138;           > 70 FC 40 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018A6640FC70, 40 bytes long.
 Data: < >Af&#138;   pw h&#138;   > 90 3E 41 66 8A 01 00 00 70 77 1E 68 8A 01 00 00 
{265} normal block at 0x0000018A66413F80, 16 bytes long.
 Data: <&#208;AAf&#138;           > D0 41 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018A66413210, 16 bytes long.
 Data: <&#168;AAf&#138;           > A8 41 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018A663E1BF0, 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 0x0000018A66413DA0, 16 bytes long.
 Data: < AAf&#138;           > 80 41 41 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018A66414180, 992 bytes long.
 Data: <&#160;=Af&#138;   &#240; >f&#138;   > A0 3D 41 66 8A 01 00 00 F0 1B 3E 66 8A 01 00 00 
{97} normal block at 0x0000018A663E1A10, 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 0x0000018A6640D5A0, 16 bytes long.
 Data: <&#240;&#248;@f&#138;           > F0 F8 40 66 8A 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000018A6640F8F0, 40 bytes long.
 Data: <&#160;&#213;@f&#138;     >f&#138;   > A0 D5 40 66 8A 01 00 00 10 1A 3E 66 8A 01 00 00 
{74} normal block at 0x0000018A6640DC80, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000018A6640D960, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018A6640DA50, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018A6640D9B0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018A6640D730, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018A6640D7D0, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018A6640DC30, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018A6640DF50, 16 bytes long.
 Data: <    &#247;           > 10 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018A6640E0E0, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018A6640DF00, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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