Task 38681451

Name test_42-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2290_0
Workunit 31623116
Created 27 Oct 2026, 4:02:30 UTC
Sent 27 Oct 2026, 4:02:32 UTC
Report deadline 1 Nov 2026, 4:02:32 UTC
Received 27 Oct 2026, 8:53:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 6 sec
CPU time 33 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.16 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:18:16 (34380): wrapper (7.9.26016): starting
04:18:16 (34380): 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
04:18:18 (34380): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:18:18 (34380): 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\11\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\11\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
04:53:01 (34380): C:/Windows/system32/cmd.exe exited; CPU time 2016.156250
04:53:01 (34380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41650811 bytes.
Dumping objects ->
{3835559} normal block at 0x0000026C184ED740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000026C16715680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000026C16715610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x0000026C167154C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000026C16715450, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x0000026C18539840, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x0000026C1677AE60, 140 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) : {3835470} normal block at 0x0000026C1670DBA0, 8 bytes long.
 Data: <  &#211; l   > 00 00 D3 16 6C 02 00 00 
{3834709} normal block at 0x0000026C1677B5B0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000026C1670E690, 8 bytes long.
 Data: <&#240;Y\ l   > F0 59 5C 18 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000026C16711A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026C16706C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000026C16717050, 16 bytes long.
 Data: <&#216;tq l           > D8 74 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026C16716A10, 16 bytes long.
 Data: <&#176;tq l           > B0 74 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026C16710100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000026C16716D30, 16 bytes long.
 Data: < tq l           > 88 74 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026C167166A0, 16 bytes long.
 Data: <`tq l           > 60 74 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026C16716880, 16 bytes long.
 Data: <8tq l           > 38 74 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026C16716650, 16 bytes long.
 Data: < tq l           > 10 74 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026C167156F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000026C16717000, 16 bytes long.
 Data: <&#168;]q l           > A8 5D 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026C16710520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000026C16716970, 16 bytes long.
 Data: < ]q l           > 80 5D 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026C16716920, 16 bytes long.
 Data: <X]q l           > 58 5D 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026C167167E0, 16 bytes long.
 Data: <0]q l           > 30 5D 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026C16716F60, 16 bytes long.
 Data: < ]q l           > 08 5D 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026C16716C40, 16 bytes long.
 Data: <&#224;\q l           > E0 5C 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026C16716830, 16 bytes long.
 Data: <&#184;\q l           > B8 5C 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026C16710820, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000026C16716A60, 16 bytes long.
 Data: < \q l           > 90 5C 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026C16715C90, 320 bytes long.
 Data: <`jq l     q l   > 60 6A 71 16 6C 02 00 00 20 08 71 16 6C 02 00 00 
{278} normal block at 0x0000026C16716BF0, 16 bytes long.
 Data: <&#240;sq l           > F0 73 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026C16716790, 16 bytes long.
 Data: <&#200;sq l           > C8 73 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026C16710700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000026C16716510, 16 bytes long.
 Data: <&#160;sq l           > A0 73 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026C167104C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000026C167166F0, 16 bytes long.
 Data: <&#232;rq l           > E8 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026C16716FB0, 16 bytes long.
 Data: <&#192;rq l           > C0 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026C16716600, 16 bytes long.
 Data: < rq l           > 98 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026C16716BA0, 16 bytes long.
 Data: <prq l           > 70 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026C16717140, 16 bytes long.
 Data: <Hrq l           > 48 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026C167168D0, 16 bytes long.
 Data: < rq l           > 20 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026C16716DD0, 16 bytes long.
 Data: <0Uq l           > 30 55 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026C16715530, 40 bytes long.
 Data: <&#208;mq l   @ S l   > D0 6D 71 16 6C 02 00 00 40 98 53 18 6C 02 00 00 
{264} normal block at 0x0000026C16716E70, 16 bytes long.
 Data: < rq l           > 00 72 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026C167169C0, 16 bytes long.
 Data: <&#216;qq l           > D8 71 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026C1670FFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000026C16716290, 16 bytes long.
 Data: <&#176;qq l           > B0 71 71 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026C167171B0, 992 bytes long.
 Data: < bq l   &#224;&#255;p l   > 90 62 71 16 6C 02 00 00 E0 FF 70 16 6C 02 00 00 
{96} normal block at 0x0000026C16710040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000026C1670E780, 16 bytes long.
 Data: < &#205;o l           > 80 CD 6F 16 6C 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000026C166FCD80, 40 bytes long.
 Data: < &#231;p l   @ q l   > 80 E7 70 16 6C 02 00 00 40 00 71 16 6C 02 00 00 
{73} normal block at 0x0000026C1670E460, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026C1670E820, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026C1670E5F0, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026C1670E5A0, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026C1670DD80, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026C1670E050, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026C1670DB00, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026C1670DE20, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026C1670DC90, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026C1670DC40, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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