Task 38676900

Name test_849-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0613_0
Workunit 31618791
Created 26 Oct 2026, 12:40:45 UTC
Sent 26 Oct 2026, 12:40:48 UTC
Report deadline 31 Oct 2026, 12:40:48 UTC
Received 26 Oct 2026, 13:03:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 21 min 38 sec
CPU time 19 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.65 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:42:22 (23880): wrapper (7.9.26016): starting
19:42:22 (23880): 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
19:42:23 (23880): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:42:23 (23880): 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
20:03:08 (23880): C:/Windows/system32/cmd.exe exited; CPU time 1175.609375
20:03:08 (23880): 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: 20707125 bytes.
Dumping objects ->
{3835184} normal block at 0x0000021A6676BBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000021A6676B040, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x0000021A6676AEF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835151} normal block at 0x0000021A6676B5F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000021A66745B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835109} normal block at 0x0000021A68458B30, 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) : {3835096} normal block at 0x0000021A66740D40, 8 bytes long.
 Data: <  &#191;f    > 00 00 BF 66 1A 02 00 00 
{3833955} normal block at 0x0000021A66740610, 8 bytes long.
 Data: <p&#231;6h    > 70 E7 36 68 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021A66741D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021A66737660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021A66746C50, 16 bytes long.
 Data: <(dtf            > 28 64 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021A66746660, 16 bytes long.
 Data: < dtf            > 00 64 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021A66740400, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021A667469D0, 16 bytes long.
 Data: <&#216;ctf            > D8 63 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021A66746E80, 16 bytes long.
 Data: <&#176;ctf            > B0 63 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021A66747100, 16 bytes long.
 Data: < ctf            > 88 63 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021A66747470, 16 bytes long.
 Data: <`ctf            > 60 63 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021A66745F60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021A66747060, 16 bytes long.
 Data: < &#244;sf            > 88 F4 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021A6673F6E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021A66746D40, 16 bytes long.
 Data: <`&#244;sf            > 60 F4 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021A66747010, 16 bytes long.
 Data: <8&#244;sf            > 38 F4 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021A66746610, 16 bytes long.
 Data: < &#244;sf            > 10 F4 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021A667474C0, 16 bytes long.
 Data: <&#232;&#243;sf            > E8 F3 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021A66746FC0, 16 bytes long.
 Data: <&#192;&#243;sf            > C0 F3 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021A66746AC0, 16 bytes long.
 Data: < &#243;sf            > 98 F3 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021A66740100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021A66747150, 16 bytes long.
 Data: <p&#243;sf            > 70 F3 73 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021A6673F370, 320 bytes long.
 Data: <Pqtf      tf    > 50 71 74 66 1A 02 00 00 00 01 74 66 1A 02 00 00 
{273} normal block at 0x0000021A667472E0, 16 bytes long.
 Data: <@ctf            > 40 63 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021A66746980, 16 bytes long.
 Data: < ctf            > 18 63 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021A6673FA40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021A66746ED0, 16 bytes long.
 Data: <&#240;btf            > F0 62 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021A6673F800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021A66746A70, 16 bytes long.
 Data: <8btf            > 38 62 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021A66746840, 16 bytes long.
 Data: < btf            > 10 62 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021A667465C0, 16 bytes long.
 Data: <&#232;atf            > E8 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021A66746DE0, 16 bytes long.
 Data: <&#192;atf            > C0 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021A66746B10, 16 bytes long.
 Data: < atf            > 98 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021A667406B0, 16 bytes long.
 Data: <patf            > 70 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021A66741470, 16 bytes long.
 Data: <0]tf            > 30 5D 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021A66745D30, 40 bytes long.
 Data: <p tf    0&#139;Eh    > 70 14 74 66 1A 02 00 00 30 8B 45 68 1A 02 00 00 
{259} normal block at 0x0000021A66741100, 16 bytes long.
 Data: <Patf            > 50 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021A667408E0, 16 bytes long.
 Data: <(atf            > 28 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021A6673FCE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021A66740660, 16 bytes long.
 Data: < atf            > 00 61 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021A66746100, 992 bytes long.
 Data: <` tf    &#224;&#252;sf    > 60 06 74 66 1A 02 00 00 E0 FC 73 66 1A 02 00 00 
{91} normal block at 0x0000021A6673FF20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021A667405C0, 16 bytes long.
 Data: <&#208;_tf            > D0 5F 74 66 1A 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021A66745FD0, 40 bytes long.
 Data: <&#192; tf     &#255;sf    > C0 05 74 66 1A 02 00 00 20 FF 73 66 1A 02 00 00 
{68} normal block at 0x0000021A66740930, 16 bytes long.
 Data: <&#128;&#234;&#188;&#221;&#246;           > 80 EA BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021A66740F20, 16 bytes long.
 Data: <@&#233;&#188;&#221;&#246;           > 40 E9 BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021A66740CF0, 16 bytes long.
 Data: <&#248;W &#221;&#246;           > F8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021A66741240, 16 bytes long.
 Data: <&#216;W &#221;&#246;           > D8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021A66740B60, 16 bytes long.
 Data: <P  &#221;&#246;           > 50 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021A66740B10, 16 bytes long.
 Data: <0  &#221;&#246;           > 30 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021A66741290, 16 bytes long.
 Data: <&#224;  &#221;&#246;           > E0 02 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021A66741010, 16 bytes long.
 Data: <   &#221;&#246;           > 10 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021A66740CA0, 16 bytes long.
 Data: <p  &#221;&#246;           > 70 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021A66740ED0, 16 bytes long.
 Data: < &#192;&#183;&#221;&#246;           > 18 C0 B7 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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