Task 38651608

Name test_158-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND0398_1
Workunit 31594707
Created 24 Oct 2026, 2:07:03 UTC
Sent 24 Oct 2026, 2:17:36 UTC
Report deadline 29 Oct 2026, 2:17:36 UTC
Received 24 Oct 2026, 2:45:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 23 min 41 sec
CPU time 20 min 2 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 752.39 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>
03:23:17 (7940): wrapper (7.9.26016): starting
03:23:17 (7940): 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
03:23:20 (7940): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:23:20 (7940): 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\3\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\3\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
03:45:18 (7940): C:/Windows/system32/cmd.exe exited; CPU time 1202.046875
03:45:18 (7940): 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: 29785716 bytes.
Dumping objects ->
{3835279} normal block at 0x0000024FC2694780, 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 0x0000024FC44CFDD0, 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 0x0000024FC44D0550, 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 0x0000024FC44CF6B0, 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 0x0000024FC44CF650, 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 0x0000024FC26946A0, 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 0x0000024FC449D120, 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 0x0000024FC268EC70, 8 bytes long.
 Data: <  4&#196;O   > 00 00 34 C4 4F 02 00 00 
{3834567} normal block at 0x0000024FC449D1C0, 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 0x0000024FC268EC20, 8 bytes long.
 Data: < 6N&#196;O   > 00 36 4E C4 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024FC26907E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024FC2686E00, 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 0x0000024FC2695310, 16 bytes long.
 Data: <&#184;di&#194;O           > B8 64 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024FC2695A90, 16 bytes long.
 Data: < di&#194;O           > 90 64 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024FC268F8D0, 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 0x0000024FC2695220, 16 bytes long.
 Data: <hdi&#194;O           > 68 64 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024FC2695720, 16 bytes long.
 Data: <@di&#194;O           > 40 64 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024FC26959A0, 16 bytes long.
 Data: < di&#194;O           > 18 64 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024FC2695B80, 16 bytes long.
 Data: <&#240;ci&#194;O           > F0 63 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024FC2694A20, 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 0x0000024FC2695950, 16 bytes long.
 Data: <&#168;&#229;h&#194;O           > A8 E5 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024FC268F690, 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 0x0000024FC2695BD0, 16 bytes long.
 Data: < &#229;h&#194;O           > 80 E5 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024FC2695FE0, 16 bytes long.
 Data: <X&#229;h&#194;O           > 58 E5 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024FC26954F0, 16 bytes long.
 Data: <0&#229;h&#194;O           > 30 E5 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024FC26957C0, 16 bytes long.
 Data: < &#229;h&#194;O           > 08 E5 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024FC26954A0, 16 bytes long.
 Data: <&#224;&#228;h&#194;O           > E0 E4 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024FC2696030, 16 bytes long.
 Data: <&#184;&#228;h&#194;O           > B8 E4 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024FC268FCF0, 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 0x0000024FC2696120, 16 bytes long.
 Data: < &#228;h&#194;O           > 90 E4 68 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024FC268E490, 320 bytes long.
 Data: < ai&#194;O   &#240;&#252;h&#194;O   > 20 61 69 C2 4F 02 00 00 F0 FC 68 C2 4F 02 00 00 
{276} normal block at 0x0000024FC2695DB0, 16 bytes long.
 Data: <&#208;ci&#194;O           > D0 63 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024FC2695360, 16 bytes long.
 Data: <&#168;ci&#194;O           > A8 63 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024FC26900B0, 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 0x0000024FC2695AE0, 16 bytes long.
 Data: < ci&#194;O           > 80 63 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024FC2690590, 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 0x0000024FC26951D0, 16 bytes long.
 Data: <&#200;bi&#194;O           > C8 62 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024FC2695B30, 16 bytes long.
 Data: <&#160;bi&#194;O           > A0 62 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024FC2695450, 16 bytes long.
 Data: <xbi&#194;O           > 78 62 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024FC2695400, 16 bytes long.
 Data: <Pbi&#194;O           > 50 62 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024FC26960D0, 16 bytes long.
 Data: <(bi&#194;O           > 28 62 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024FC2695F90, 16 bytes long.
 Data: < bi&#194;O           > 00 62 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024FC2695E00, 16 bytes long.
 Data: <&#208;Hi&#194;O           > D0 48 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024FC26948D0, 40 bytes long.
 Data: < ^i&#194;O   &#160;Fi&#194;O   > 00 5E 69 C2 4F 02 00 00 A0 46 69 C2 4F 02 00 00 
{262} normal block at 0x0000024FC26953B0, 16 bytes long.
 Data: <&#224;ai&#194;O           > E0 61 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024FC26955E0, 16 bytes long.
 Data: <&#184;ai&#194;O           > B8 61 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024FC268FC90, 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 0x0000024FC2695C20, 16 bytes long.
 Data: < ai&#194;O           > 90 61 69 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024FC2696190, 992 bytes long.
 Data: < \i&#194;O    &#252;h&#194;O   > 20 5C 69 C2 4F 02 00 00 90 FC 68 C2 4F 02 00 00 
{94} normal block at 0x0000024FC268F750, 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 0x0000024FC268E860, 16 bytes long.
 Data: <&#240;&#229;g&#194;O           > F0 E5 67 C2 4F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024FC267E5F0, 40 bytes long.
 Data: <`&#232;h&#194;O   P&#247;h&#194;O   > 60 E8 68 C2 4F 02 00 00 50 F7 68 C2 4F 02 00 00 
{71} normal block at 0x0000024FC268E810, 16 bytes long.
 Data: < &#234;(&#134;&#247;           > 80 EA 28 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024FC268F120, 16 bytes long.
 Data: <@&#233;(&#134;&#247;           > 40 E9 28 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024FC268F030, 16 bytes long.
 Data: <&#248;W%&#134;&#247;           > F8 57 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024FC268F530, 16 bytes long.
 Data: <&#216;W%&#134;&#247;           > D8 57 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024FC268E680, 16 bytes long.
 Data: <P %&#134;&#247;           > 50 04 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024FC268EFE0, 16 bytes long.
 Data: <0 %&#134;&#247;           > 30 04 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024FC268F580, 16 bytes long.
 Data: <&#224; %&#134;&#247;           > E0 02 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024FC268F4E0, 16 bytes long.
 Data: <  %&#134;&#247;           > 10 04 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024FC268F0D0, 16 bytes long.
 Data: <p %&#134;&#247;           > 70 04 25 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024FC268EF90, 16 bytes long.
 Data: < &#192;#&#134;&#247;           > 18 C0 23 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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