Task 38688349

Name test_518-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8382_0
Workunit 31629704
Created 28 Oct 2026, 13:17:30 UTC
Sent 28 Oct 2026, 13:17:37 UTC
Report deadline 2 Nov 2026, 13:17:37 UTC
Received 28 Oct 2026, 13:51:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 17 min 1 sec
CPU time 15 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.63 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:34:47 (53332): wrapper (7.9.26016): starting
14:34:47 (53332): 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
14:34:48 (53332): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:34:48 (53332): 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\23\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\23\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
14:51:08 (53332): C:/Windows/system32/cmd.exe exited; CPU time 946.765625
14:51:08 (53332): 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: 23634717 bytes.
Dumping objects ->
{3835552} normal block at 0x00000189630FCBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835541} normal block at 0x00000189630FD1C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x0000018961305070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835519} normal block at 0x0000018961304E40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000018961304C80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835477} normal block at 0x00000189631467F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000001896315EB30, 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) : {3835463} normal block at 0x00000189612FEEE0, 8 bytes long.
 Data: <  ,a&#137;   > 00 00 2C 61 89 01 00 00 
{3834688} normal block at 0x000001896315E920, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000189612FF020, 8 bytes long.
 Data: <0&#223; c&#137;   > 30 DF 15 63 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018961300B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000189612F63D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000018961306200, 16 bytes long.
 Data: <hh0a&#137;           > 68 68 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018961306430, 16 bytes long.
 Data: <@h0a&#137;           > 40 68 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000189613004C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000018961305620, 16 bytes long.
 Data: < h0a&#137;           > 18 68 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018961306070, 16 bytes long.
 Data: <&#240;g0a&#137;           > F0 67 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018961306020, 16 bytes long.
 Data: <&#200;g0a&#137;           > C8 67 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018961305FD0, 16 bytes long.
 Data: <&#160;g0a&#137;           > A0 67 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018961304B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000018961305DA0, 16 bytes long.
 Data: < &#183;.a&#137;           > 08 B7 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018961300820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000189613061B0, 16 bytes long.
 Data: <&#224;&#182;.a&#137;           > E0 B6 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018961305C60, 16 bytes long.
 Data: <&#184;&#182;.a&#137;           > B8 B6 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018961305E40, 16 bytes long.
 Data: < &#182;.a&#137;           > 90 B6 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018961305AD0, 16 bytes long.
 Data: <h&#182;.a&#137;           > 68 B6 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018961306160, 16 bytes long.
 Data: <@&#182;.a&#137;           > 40 B6 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000189613063E0, 16 bytes long.
 Data: < &#182;.a&#137;           > 18 B6 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018961300460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000018961305EE0, 16 bytes long.
 Data: <&#240;&#181;.a&#137;           > F0 B5 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000189612EB5F0, 320 bytes long.
 Data: <&#224;^0a&#137;   ` 0a&#137;   > E0 5E 30 61 89 01 00 00 60 04 30 61 89 01 00 00 
{277} normal block at 0x0000018961305F80, 16 bytes long.
 Data: < g0a&#137;           > 80 67 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018961306340, 16 bytes long.
 Data: <Xg0a&#137;           > 58 67 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018961300340, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000018961305DF0, 16 bytes long.
 Data: <0g0a&#137;           > 30 67 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000189612FFE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000189613060C0, 16 bytes long.
 Data: <xf0a&#137;           > 78 66 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018961305800, 16 bytes long.
 Data: <Pf0a&#137;           > 50 66 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018961305B70, 16 bytes long.
 Data: <(f0a&#137;           > 28 66 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000189613062F0, 16 bytes long.
 Data: < f0a&#137;           > 00 66 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000189613055D0, 16 bytes long.
 Data: <&#216;e0a&#137;           > D8 65 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018961305B20, 16 bytes long.
 Data: <&#176;e0a&#137;           > B0 65 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018961305940, 16 bytes long.
 Data: < O0a&#137;           > 20 4F 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018961304F20, 40 bytes long.
 Data: <@Y0a&#137;   &#240;g c&#137;   > 40 59 30 61 89 01 00 00 F0 67 14 63 89 01 00 00 
{263} normal block at 0x00000189613062A0, 16 bytes long.
 Data: < e0a&#137;           > 90 65 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000189613056C0, 16 bytes long.
 Data: <he0a&#137;           > 68 65 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018961300400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000018961305580, 16 bytes long.
 Data: <@e0a&#137;           > 40 65 30 61 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018961306540, 992 bytes long.
 Data: < U0a&#137;     0a&#137;   > 80 55 30 61 89 01 00 00 00 04 30 61 89 01 00 00 
{95} normal block at 0x00000189612FFBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000189612FF480, 16 bytes long.
 Data: <&#176;&#240;.a&#137;           > B0 F0 2E 61 89 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000189612EF0B0, 40 bytes long.
 Data: < &#244;/a&#137;   &#192;&#251;/a&#137;   > 80 F4 2F 61 89 01 00 00 C0 FB 2F 61 89 01 00 00 
{72} normal block at 0x00000189612FF750, 16 bytes long.
 Data: < &#234;&#161;&#241;&#247;           > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000189612FED00, 16 bytes long.
 Data: <@&#233;&#161;&#241;&#247;           > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000189612FF250, 16 bytes long.
 Data: <&#248;W&#158;&#241;&#247;           > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000189612FF160, 16 bytes long.
 Data: <&#216;W&#158;&#241;&#247;           > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000189612FEA30, 16 bytes long.
 Data: <P &#158;&#241;&#247;           > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000189612FF070, 16 bytes long.
 Data: <0 &#158;&#241;&#247;           > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000189612FEC10, 16 bytes long.
 Data: <&#224; &#158;&#241;&#247;           > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000189612FF430, 16 bytes long.
 Data: <  &#158;&#241;&#247;           > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000189612FF980, 16 bytes long.
 Data: <p &#158;&#241;&#247;           > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000189612FF520, 16 bytes long.
 Data: < &#192;&#156;&#241;&#247;           > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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