Task 38695026

Name test_71-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7285_0
Workunit 31635751
Created 31 Oct 2026, 5:31:29 UTC
Sent 31 Oct 2026, 5:31:31 UTC
Report deadline 5 Nov 2026, 5:31:31 UTC
Received 31 Oct 2026, 8:35:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 12 sec
CPU time 52 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 640.06 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
07:40:36 (196): wrapper (7.9.26016): starting
07:40:36 (196): 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
07:40:37 (196): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:40:37 (196): 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:\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 'D:\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
08:33:12 (196): C:/Windows/system32/cmd.exe exited; CPU time 3144.203125
08:33:12 (196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36957839 bytes.
Dumping objects ->
{3835313} normal block at 0x00000259E7346FA0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x00000259E73466E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x00000259E73475C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x00000259E57AB550, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000259E57AB390, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x00000259E72EB620, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000259E57A8D30, 200 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) : {3835224} normal block at 0x00000259E57A67A0, 8 bytes long.
 Data: <  x&#229;Y   > 00 00 78 E5 59 02 00 00 
{3834581} normal block at 0x00000259E57A9390, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000259E57A6340, 8 bytes long.
 Data: <&#192;j(&#231;Y   > C0 6A 28 E7 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000259E57B10E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000259E5795C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000259E57B28F0, 16 bytes long.
 Data: <&#216;5{&#229;Y           > D8 35 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000259E57B28A0, 16 bytes long.
 Data: <&#176;5{&#229;Y           > B0 35 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000259E57ACAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000259E57B2D50, 16 bytes long.
 Data: < 5{&#229;Y           > 88 35 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000259E57B2490, 16 bytes long.
 Data: <`5{&#229;Y           > 60 35 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000259E57B2AD0, 16 bytes long.
 Data: <85{&#229;Y           > 38 35 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000259E57B2800, 16 bytes long.
 Data: < 5{&#229;Y           > 10 35 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000259E57AB160, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000259E57B2DF0, 16 bytes long.
 Data: <&#232;[y&#229;Y           > E8 5B 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000259E57AD0B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000259E57B27B0, 16 bytes long.
 Data: <&#192;[y&#229;Y           > C0 5B 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000259E57B2440, 16 bytes long.
 Data: < [y&#229;Y           > 98 5B 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000259E57B23A0, 16 bytes long.
 Data: <p[y&#229;Y           > 70 5B 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000259E57B2300, 16 bytes long.
 Data: <H[y&#229;Y           > 48 5B 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000259E57B1FE0, 16 bytes long.
 Data: < [y&#229;Y           > 20 5B 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000259E57B2D00, 16 bytes long.
 Data: <&#248;Zy&#229;Y           > F8 5A 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000259E57ACA50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000259E57B2710, 16 bytes long.
 Data: <&#208;Zy&#229;Y           > D0 5A 79 E5 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000259E5795AD0, 320 bytes long.
 Data: < '{&#229;Y   P&#202;z&#229;Y   > 10 27 7B E5 59 02 00 00 50 CA 7A E5 59 02 00 00 
{269} normal block at 0x00000259E57B21C0, 16 bytes long.
 Data: <&#240;4{&#229;Y           > F0 34 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000259E57B2350, 16 bytes long.
 Data: <&#200;4{&#229;Y           > C8 34 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000259E57ACF30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000259E57B1F90, 16 bytes long.
 Data: <&#160;4{&#229;Y           > A0 34 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000259E57ACC90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000259E57B2A80, 16 bytes long.
 Data: <&#232;3{&#229;Y           > E8 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000259E57B23F0, 16 bytes long.
 Data: <&#192;3{&#229;Y           > C0 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000259E57B2B70, 16 bytes long.
 Data: < 3{&#229;Y           > 98 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000259E57B2670, 16 bytes long.
 Data: <p3{&#229;Y           > 70 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000259E57B2170, 16 bytes long.
 Data: <H3{&#229;Y           > 48 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000259E57B25D0, 16 bytes long.
 Data: < 3{&#229;Y           > 20 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000259E57B22B0, 16 bytes long.
 Data: < &#176;z&#229;Y           > 80 B0 7A E5 59 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000259E57AB080, 40 bytes long.
 Data: <&#176;"{&#229;Y    &#182;.&#231;Y   > B0 22 7B E5 59 02 00 00 20 B6 2E E7 59 02 00 00 
{255} normal block at 0x00000259E57B2580, 16 bytes long.
 Data: < 3{&#229;Y           > 00 33 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000259E57B20D0, 16 bytes long.
 Data: <&#216;2{&#229;Y           > D8 32 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000259E57AC630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000259E57B2850, 16 bytes long.
 Data: <&#176;2{&#229;Y           > B0 32 7B E5 59 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000259E57B32B0, 992 bytes long.
 Data: <P({&#229;Y   0&#198;z&#229;Y   > 50 28 7B E5 59 02 00 00 30 C6 7A E5 59 02 00 00 
{87} normal block at 0x00000259E57ACB10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000259E57A67F0, 16 bytes long.
 Data: < &#183;z&#229;Y           > 10 B7 7A E5 59 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000259E57AB710, 40 bytes long.
 Data: <&#240;gz&#229;Y    &#203;z&#229;Y   > F0 67 7A E5 59 02 00 00 10 CB 7A E5 59 02 00 00 
{64} normal block at 0x00000259E57A6520, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000259E57A6C50, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000259E57A6C00, 16 bytes long.
 Data: <&#248;W&#254; &#247;           > F8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000259E57A6E80, 16 bytes long.
 Data: <&#216;W&#254; &#247;           > D8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000259E57A63E0, 16 bytes long.
 Data: <P &#254; &#247;           > 50 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000259E57A6700, 16 bytes long.
 Data: <0 &#254; &#247;           > 30 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000259E57A6430, 16 bytes long.
 Data: <&#224; &#254; &#247;           > E0 02 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000259E57A6D40, 16 bytes long.
 Data: <  &#254; &#247;           > 10 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000259E57A65C0, 16 bytes long.
 Data: <p &#254; &#247;           > 70 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000259E57A6B10, 16 bytes long.
 Data: < &#192;&#252; &#247;           > 18 C0 FC 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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