Task 38687987

Name test_923-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5800_0
Workunit 31629357
Created 28 Oct 2026, 10:54:55 UTC
Sent 28 Oct 2026, 10:54:58 UTC
Report deadline 2 Nov 2026, 10:54:58 UTC
Received 28 Oct 2026, 11:25:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 29 min 19 sec
CPU time 27 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 802.27 MB
Peak swap size 13.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:57:13 (10080): wrapper (7.9.26016): starting
03:57:13 (10080): 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
03:57:15 (10080): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:57:15 (10080): 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\32\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\32\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
04:24:38 (10080): C:/Windows/system32/cmd.exe exited; CPU time 1620.593750
04:24:38 (10080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 40829581 bytes.
Dumping objects ->
{3835451} normal block at 0x0000016653D16A60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000016653D16670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000016653D16830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000016653D16910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000016653D16C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x0000016655998760, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x00000166559AF030, 102 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) : {3835362} normal block at 0x0000016653D0F490, 8 bytes long.
 Data: <  &#205;Sf   > 00 00 CD 53 66 01 00 00 
{3834640} normal block at 0x00000166559AEA00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000016653D0F080, 8 bytes long.
 Data: <&#160;&#169;&#154;Uf   > A0 A9 9A 55 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000016653D10040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016653D05CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000016653D15E60, 16 bytes long.
 Data: <&#216;c&#209;Sf           > D8 63 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016653D159B0, 16 bytes long.
 Data: <&#176;c&#209;Sf           > B0 63 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016653D11AA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000016653D15910, 16 bytes long.
 Data: < c&#209;Sf           > 88 63 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016653D15500, 16 bytes long.
 Data: <`c&#209;Sf           > 60 63 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016653D15FA0, 16 bytes long.
 Data: <8c&#209;Sf           > 38 63 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016653D15320, 16 bytes long.
 Data: < c&#209;Sf           > 10 63 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016653D16590, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000016653D15870, 16 bytes long.
 Data: <&#232;&#247;&#207;Sf           > E8 F7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016653D12700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000016653D15140, 16 bytes long.
 Data: <&#192;&#247;&#207;Sf           > C0 F7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016653D16040, 16 bytes long.
 Data: < &#247;&#207;Sf           > 98 F7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016653D15D20, 16 bytes long.
 Data: <p&#247;&#207;Sf           > 70 F7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016653D15F00, 16 bytes long.
 Data: <H&#247;&#207;Sf           > 48 F7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016653D15CD0, 16 bytes long.
 Data: < &#247;&#207;Sf           > 20 F7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016653D15C30, 16 bytes long.
 Data: <&#248;&#246;&#207;Sf           > F8 F6 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016653D125E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000016653D15820, 16 bytes long.
 Data: <&#208;&#246;&#207;Sf           > D0 F6 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016653CFF6D0, 320 bytes long.
 Data: < X&#209;Sf   &#224;%&#209;Sf   > 20 58 D1 53 66 01 00 00 E0 25 D1 53 66 01 00 00 
{268} normal block at 0x0000016653D15B90, 16 bytes long.
 Data: <&#240;b&#209;Sf           > F0 62 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016653D15EB0, 16 bytes long.
 Data: <&#200;b&#209;Sf           > C8 62 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016653D124C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000016653D15190, 16 bytes long.
 Data: <&#160;b&#209;Sf           > A0 62 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016653D11F20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000016653D15DC0, 16 bytes long.
 Data: <&#232;a&#209;Sf           > E8 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016653D15E10, 16 bytes long.
 Data: <&#192;a&#209;Sf           > C0 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016653D15F50, 16 bytes long.
 Data: < a&#209;Sf           > 98 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016653D157D0, 16 bytes long.
 Data: <pa&#209;Sf           > 70 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016653D155A0, 16 bytes long.
 Data: <Ha&#209;Sf           > 48 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016653D15AF0, 16 bytes long.
 Data: < a&#209;Sf           > 20 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016653D15370, 16 bytes long.
 Data: <&#224;&#215;&#207;Sf           > E0 D7 CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016653CFD7E0, 40 bytes long.
 Data: <pS&#209;Sf   `&#135; Uf   > 70 53 D1 53 66 01 00 00 60 87 99 55 66 01 00 00 
{254} normal block at 0x0000016653D15D70, 16 bytes long.
 Data: < a&#209;Sf           > 00 61 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016653D154B0, 16 bytes long.
 Data: <&#216;`&#209;Sf           > D8 60 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000016653D12100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000016653D15730, 16 bytes long.
 Data: <&#176;`&#209;Sf           > B0 60 D1 53 66 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000016653D160B0, 992 bytes long.
 Data: <0W&#209;Sf    !&#209;Sf   > 30 57 D1 53 66 01 00 00 00 21 D1 53 66 01 00 00 
{86} normal block at 0x0000016653D11A40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000016653D0FB70, 16 bytes long.
 Data: <&#240;&#203;&#207;Sf           > F0 CB CF 53 66 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000016653CFCBF0, 40 bytes long.
 Data: <p&#251;&#208;Sf   @ &#209;Sf   > 70 FB D0 53 66 01 00 00 40 1A D1 53 66 01 00 00 
{63} normal block at 0x0000016653D0F620, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016653D0F120, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016653D0F850, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016653D0F990, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016653D0F8A0, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016653D0F1C0, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016653D0F0D0, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016653D0EF90, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016653D0F350, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000016653D0F210, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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