Task 38682215

Name test_114-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8775_0
Workunit 31623845
Created 27 Oct 2026, 7:01:32 UTC
Sent 27 Oct 2026, 7:01:42 UTC
Report deadline 1 Nov 2026, 7:01:42 UTC
Received 27 Oct 2026, 8:16:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 2 min 10 sec
CPU time 57 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 640.97 MB
Peak swap size 2.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:16:21 (27584): wrapper (7.9.26016): starting
09:16:21 (27584): 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
09:16:23 (27584): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:16:23 (27584): 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\8\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\8\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
10:16:27 (27584): C:/Windows/system32/cmd.exe exited; CPU time 3442.343750
10:16:27 (27584): 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: 56317263 bytes.
Dumping objects ->
{3835257} normal block at 0x00000219B2ED0DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000219B2ED0ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000219B2ED0A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x00000219B2ED0B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000219B2ED14F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x00000219B2FC59B0, 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) : {3835169} normal block at 0x00000219B1487420, 8 bytes long.
 Data: <  =&#177;    > 00 00 3D B1 19 02 00 00 
{3833951} normal block at 0x00000219B1487240, 8 bytes long.
 Data: <p&#210;&#253;&#178;    > 70 D2 FD B2 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000219B1491B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219B1476740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000219B1492D70, 16 bytes long.
 Data: < AI&#177;            > 88 41 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000219B14930E0, 16 bytes long.
 Data: <`AI&#177;            > 60 41 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000219B148BFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000219B1493810, 16 bytes long.
 Data: <8AI&#177;            > 38 41 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000219B1493090, 16 bytes long.
 Data: < AI&#177;            > 10 41 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000219B14937C0, 16 bytes long.
 Data: <&#232;@I&#177;            > E8 40 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000219B14933B0, 16 bytes long.
 Data: <&#192;@I&#177;            > C0 40 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219B148D7C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000219B1492FA0, 16 bytes long.
 Data: < &#210;H&#177;            > 88 D2 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219B148C150, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000219B1493630, 16 bytes long.
 Data: <`&#210;H&#177;            > 60 D2 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000219B1493770, 16 bytes long.
 Data: <8&#210;H&#177;            > 38 D2 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000219B1493270, 16 bytes long.
 Data: < &#210;H&#177;            > 10 D2 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000219B1493540, 16 bytes long.
 Data: <&#232;&#209;H&#177;            > E8 D1 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219B1493860, 16 bytes long.
 Data: <&#192;&#209;H&#177;            > C0 D1 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000219B1492E10, 16 bytes long.
 Data: < &#209;H&#177;            > 98 D1 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219B148BAF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000219B14939A0, 16 bytes long.
 Data: <p&#209;H&#177;            > 70 D1 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000219B148D170, 320 bytes long.
 Data: <&#160;9I&#177;    &#240;&#186;H&#177;    > A0 39 49 B1 19 02 00 00 F0 BA 48 B1 19 02 00 00 
{271} normal block at 0x00000219B1492C80, 16 bytes long.
 Data: <&#160;@I&#177;            > A0 40 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000219B1493720, 16 bytes long.
 Data: <x@I&#177;            > 78 40 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219B148C570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000219B1492CD0, 16 bytes long.
 Data: <P@I&#177;            > 50 40 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219B148BA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000219B1493360, 16 bytes long.
 Data: < ?I&#177;            > 98 3F 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219B1493040, 16 bytes long.
 Data: <p?I&#177;            > 70 3F 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000219B1492B40, 16 bytes long.
 Data: <H?I&#177;            > 48 3F 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000219B1492BE0, 16 bytes long.
 Data: < ?I&#177;            > 20 3F 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000219B1493400, 16 bytes long.
 Data: <&#248;>I&#177;            > F8 3E 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000219B14931D0, 16 bytes long.
 Data: <&#208;>I&#177;            > D0 3E 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000219B14934F0, 16 bytes long.
 Data: <&#208;&#218;H&#177;            > D0 DA 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000219B148DAD0, 40 bytes long.
 Data: <&#240;4I&#177;    &#176;Y&#252;&#178;    > F0 34 49 B1 19 02 00 00 B0 59 FC B2 19 02 00 00 
{257} normal block at 0x00000219B14934A0, 16 bytes long.
 Data: <&#176;>I&#177;            > B0 3E 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000219B1493680, 16 bytes long.
 Data: < >I&#177;            > 88 3E 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000219B148C4B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000219B1493450, 16 bytes long.
 Data: <`>I&#177;            > 60 3E 49 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000219B1493E60, 992 bytes long.
 Data: <P4I&#177;    &#176;&#196;H&#177;    > 50 34 49 B1 19 02 00 00 B0 C4 48 B1 19 02 00 00 
{89} normal block at 0x00000219B148BB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000219B1486BB0, 16 bytes long.
 Data: <&#176;&#219;H&#177;            > B0 DB 48 B1 19 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000219B148DBB0, 40 bytes long.
 Data: <&#176;kH&#177;    P&#187;H&#177;    > B0 6B 48 B1 19 02 00 00 50 BB 48 B1 19 02 00 00 
{66} normal block at 0x00000219B1487970, 16 bytes long.
 Data: < &#234;(h&#247;           > 80 EA 28 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219B1486F20, 16 bytes long.
 Data: <@&#233;(h&#247;           > 40 E9 28 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219B1487380, 16 bytes long.
 Data: <&#248;W%h&#247;           > F8 57 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219B1486C00, 16 bytes long.
 Data: <&#216;W%h&#247;           > D8 57 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000219B1486E80, 16 bytes long.
 Data: <P %h&#247;           > 50 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000219B1487920, 16 bytes long.
 Data: <0 %h&#247;           > 30 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000219B1486E30, 16 bytes long.
 Data: <&#224; %h&#247;           > E0 02 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000219B14878D0, 16 bytes long.
 Data: <  %h&#247;           > 10 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000219B1487650, 16 bytes long.
 Data: <p %h&#247;           > 70 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000219B1487880, 16 bytes long.
 Data: < &#192;#h&#247;           > 18 C0 23 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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