Task 38697092

Name test_158-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7251_0
Workunit 31637690
Created 1 Nov 2026, 8:57:14 UTC
Sent 1 Nov 2026, 8:57:21 UTC
Report deadline 6 Nov 2026, 8:57:21 UTC
Received 1 Nov 2026, 10:05:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654604
Run time 1 hours 7 min 29 sec
CPU time 1 hours 1 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,859.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.88 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:59:02 (21356): wrapper (7.9.26016): starting
01:59:02 (21356): 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
01:59:04 (21356): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:59:05 (21356): 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
02:05:01 (21356): C:/Windows/system32/cmd.exe exited; CPU time 3675.578125
02:05:01 (21356): 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: 59164585 bytes.
Dumping objects ->
{3835197} normal block at 0x000002159A5ED3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002159A5ED380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002159A5ED000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000021598A94E70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000021598A94E00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000002159A638A20, 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) : {3835109} normal block at 0x0000021598A8F750, 8 bytes long.
 Data: <  &#228;     > 00 00 E4 98 15 02 00 00 
{3833963} normal block at 0x0000021598A8F070, 8 bytes long.
 Data: <&#224;&#223;d&#154;    > E0 DF 64 9A 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021598A90FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021598A866E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021598A96200, 16 bytes long.
 Data: < i&#169;             > 08 69 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021598A957B0, 16 bytes long.
 Data: <&#224;h&#169;             > E0 68 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021598A902C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000021598A95DF0, 16 bytes long.
 Data: <&#184;h&#169;             > B8 68 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021598A95CB0, 16 bytes long.
 Data: < h&#169;             > 90 68 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021598A95EE0, 16 bytes long.
 Data: <hh&#169;             > 68 68 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021598A95C60, 16 bytes long.
 Data: <@h&#169;             > 40 68 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021598A94BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021598A95800, 16 bytes long.
 Data: <8&#232;&#168;             > 38 E8 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021598A8FD80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021598A95A80, 16 bytes long.
 Data: < &#232;&#168;             > 10 E8 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021598A95DA0, 16 bytes long.
 Data: <&#232;&#231;&#168;             > E8 E7 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021598A963E0, 16 bytes long.
 Data: <&#192;&#231;&#168;             > C0 E7 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021598A95A30, 16 bytes long.
 Data: < &#231;&#168;             > 98 E7 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021598A961B0, 16 bytes long.
 Data: <p&#231;&#168;             > 70 E7 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021598A95C10, 16 bytes long.
 Data: <H&#231;&#168;             > 48 E7 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021598A8FC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021598A95670, 16 bytes long.
 Data: < &#231;&#168;             > 20 E7 A8 98 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021598A8E720, 320 bytes long.
 Data: <pV&#169;     `&#252;&#168;     > 70 56 A9 98 15 02 00 00 60 FC A8 98 15 02 00 00 
{277} normal block at 0x0000021598A95990, 16 bytes long.
 Data: < h&#169;             > 20 68 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021598A95940, 16 bytes long.
 Data: <&#248;g&#169;             > F8 67 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021598A8FEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021598A95D50, 16 bytes long.
 Data: <&#208;g&#169;             > D0 67 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021598A90800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000021598A95620, 16 bytes long.
 Data: < g&#169;             > 18 67 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021598A95AD0, 16 bytes long.
 Data: <&#240;f&#169;             > F0 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021598A95BC0, 16 bytes long.
 Data: <&#200;f&#169;             > C8 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021598A95B20, 16 bytes long.
 Data: <&#160;f&#169;             > A0 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021598A95D00, 16 bytes long.
 Data: <xf&#169;             > 78 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021598A958A0, 16 bytes long.
 Data: <Pf&#169;             > 50 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021598A96430, 16 bytes long.
 Data: <&#240;J&#169;             > F0 4A A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021598A94AF0, 40 bytes long.
 Data: <0d&#169;      &#138;c&#154;    > 30 64 A9 98 15 02 00 00 20 8A 63 9A 15 02 00 00 
{263} normal block at 0x0000021598A95760, 16 bytes long.
 Data: <0f&#169;             > 30 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021598A959E0, 16 bytes long.
 Data: < f&#169;             > 08 66 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021598A903E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021598A95710, 16 bytes long.
 Data: <&#224;e&#169;             > E0 65 A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021598A965E0, 992 bytes long.
 Data: < W&#169;     &#224; &#169;     > 10 57 A9 98 15 02 00 00 E0 03 A9 98 15 02 00 00 
{95} normal block at 0x0000021598A900E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000021598A8F610, 16 bytes long.
 Data: < J&#169;             > 10 4A A9 98 15 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021598A94A10, 40 bytes long.
 Data: < &#246;&#168;     &#224; &#169;     > 10 F6 A8 98 15 02 00 00 E0 00 A9 98 15 02 00 00 
{72} normal block at 0x0000021598A8F390, 16 bytes long.
 Data: < &#234;&#238;.&#246;           > 80 EA EE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021598A8F480, 16 bytes long.
 Data: <@&#233;&#238;.&#246;           > 40 E9 EE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021598A8EC10, 16 bytes long.
 Data: <&#248;W&#235;.&#246;           > F8 57 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021598A8F1B0, 16 bytes long.
 Data: <&#216;W&#235;.&#246;           > D8 57 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021598A8F430, 16 bytes long.
 Data: <P &#235;.&#246;           > 50 04 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021598A8F8E0, 16 bytes long.
 Data: <0 &#235;.&#246;           > 30 04 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021598A8EB20, 16 bytes long.
 Data: <&#224; &#235;.&#246;           > E0 02 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021598A8F980, 16 bytes long.
 Data: <  &#235;.&#246;           > 10 04 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021598A8F6B0, 16 bytes long.
 Data: <p &#235;.&#246;           > 70 04 EB 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021598A8EF30, 16 bytes long.
 Data: < &#192;&#233;.&#246;           > 18 C0 E9 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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