Task 38669806

Name test_61-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2879_0
Workunit 31612115
Created 25 Oct 2026, 15:39:31 UTC
Sent 25 Oct 2026, 15:39:41 UTC
Report deadline 30 Oct 2026, 15:39:41 UTC
Received 25 Oct 2026, 16:02:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 22 min 24 sec
CPU time 20 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.43 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>
15:41:17 (12976): wrapper (7.9.26016): starting
15:41:17 (12976): 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
15:41:18 (12976): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:41:18 (12976): 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\data\slots\30\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\data\slots\30\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
16:02:11 (12976): C:/Windows/system32/cmd.exe exited; CPU time 1205.796875
16:02:11 (12976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 30585396 bytes.
Dumping objects ->
{3835279} normal block at 0x0000024BC67D4BD0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x0000024BC86C1460, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x0000024BC86C0F20, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x0000024BC86C1160, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x0000024BC86C1D60, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x0000024BC67D4E00, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x0000024BC868DB60, 85 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) : {3835190} normal block at 0x0000024BC67CF6E0, 8 bytes long.
 Data: <  &#232;&#198;K   > 00 00 E8 C6 4B 02 00 00 
{3834567} normal block at 0x0000024BC868DA20, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000024BC67CF730, 8 bytes long.
 Data: <&#160;>m&#200;K   > A0 3E 6D C8 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024BC67D1610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024BC67C6320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000024BC67D5F10, 16 bytes long.
 Data: <hf}&#198;K           > 68 66 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024BC67D5EC0, 16 bytes long.
 Data: <@f}&#198;K           > 40 66 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024BC67CFD20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000024BC67D5E70, 16 bytes long.
 Data: < f}&#198;K           > 18 66 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024BC67D60F0, 16 bytes long.
 Data: <&#240;e}&#198;K           > F0 65 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024BC67D5FB0, 16 bytes long.
 Data: <&#200;e}&#198;K           > C8 65 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024BC67D5D80, 16 bytes long.
 Data: <&#160;e}&#198;K           > A0 65 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024BC67D4D90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000024BC67D5C40, 16 bytes long.
 Data: <H&#231;|&#198;K           > 48 E7 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024BC67CFA20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000024BC67D6230, 16 bytes long.
 Data: < &#231;|&#198;K           > 20 E7 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024BC67D5B00, 16 bytes long.
 Data: <&#248;&#230;|&#198;K           > F8 E6 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024BC67D59C0, 16 bytes long.
 Data: <&#208;&#230;|&#198;K           > D0 E6 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024BC67D5D30, 16 bytes long.
 Data: <&#168;&#230;|&#198;K           > A8 E6 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024BC67D53D0, 16 bytes long.
 Data: < &#230;|&#198;K           > 80 E6 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024BC67D5E20, 16 bytes long.
 Data: <X&#230;|&#198;K           > 58 E6 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024BC67CFE40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000024BC67D5560, 16 bytes long.
 Data: <0&#230;|&#198;K           > 30 E6 7C C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024BC67CE630, 320 bytes long.
 Data: <`U}&#198;K   @&#254;|&#198;K   > 60 55 7D C6 4B 02 00 00 40 FE 7C C6 4B 02 00 00 
{276} normal block at 0x0000024BC67D5BA0, 16 bytes long.
 Data: < e}&#198;K           > 80 65 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024BC67D5510, 16 bytes long.
 Data: <Xe}&#198;K           > 58 65 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024BC67D0440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000024BC67D6190, 16 bytes long.
 Data: <0e}&#198;K           > 30 65 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024BC67D0320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000024BC67D5DD0, 16 bytes long.
 Data: <xd}&#198;K           > 78 64 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024BC67D6140, 16 bytes long.
 Data: <Pd}&#198;K           > 50 64 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024BC67D60A0, 16 bytes long.
 Data: <(d}&#198;K           > 28 64 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024BC67D5A10, 16 bytes long.
 Data: < d}&#198;K           > 00 64 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024BC67D58D0, 16 bytes long.
 Data: <&#216;c}&#198;K           > D8 63 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024BC67D5970, 16 bytes long.
 Data: <&#176;c}&#198;K           > B0 63 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024BC67D5880, 16 bytes long.
 Data: <0I}&#198;K           > 30 49 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024BC67D4930, 40 bytes long.
 Data: < X}&#198;K    N}&#198;K   > 80 58 7D C6 4B 02 00 00 00 4E 7D C6 4B 02 00 00 
{262} normal block at 0x0000024BC67D5BF0, 16 bytes long.
 Data: < c}&#198;K           > 90 63 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024BC67D6050, 16 bytes long.
 Data: <hc}&#198;K           > 68 63 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024BC67CFD80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000024BC67D54C0, 16 bytes long.
 Data: <@c}&#198;K           > 40 63 7D C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024BC67D6340, 992 bytes long.
 Data: <&#192;T}&#198;K    &#253;|&#198;K   > C0 54 7D C6 4B 02 00 00 80 FD 7C C6 4B 02 00 00 
{94} normal block at 0x0000024BC67CFC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000024BC67CEF10, 16 bytes long.
 Data: <P&#212;{&#198;K           > 50 D4 7B C6 4B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024BC67BD450, 40 bytes long.
 Data: < &#239;|&#198;K    &#252;|&#198;K   > 10 EF 7C C6 4B 02 00 00 00 FC 7C C6 4B 02 00 00 
{71} normal block at 0x0000024BC67CEEC0, 16 bytes long.
 Data: < &#234;&#215;>&#246;           > 80 EA D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024BC67CEE70, 16 bytes long.
 Data: <@&#233;&#215;>&#246;           > 40 E9 D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024BC67CECE0, 16 bytes long.
 Data: <&#248;W&#212;>&#246;           > F8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024BC67CEFB0, 16 bytes long.
 Data: <&#216;W&#212;>&#246;           > D8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024BC67CF140, 16 bytes long.
 Data: <P &#212;>&#246;           > 50 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024BC67CF0A0, 16 bytes long.
 Data: <0 &#212;>&#246;           > 30 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024BC67CF3C0, 16 bytes long.
 Data: <&#224; &#212;>&#246;           > E0 02 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024BC67CF0F0, 16 bytes long.
 Data: <  &#212;>&#246;           > 10 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024BC67CF190, 16 bytes long.
 Data: <p &#212;>&#246;           > 70 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024BC67CF000, 16 bytes long.
 Data: < &#192;&#210;>&#246;           > 18 C0 D2 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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