Task 38686608

Name test_69-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8622_0
Workunit 31628034
Created 28 Oct 2026, 3:27:19 UTC
Sent 28 Oct 2026, 3:27:25 UTC
Report deadline 2 Nov 2026, 3:27:25 UTC
Received 28 Oct 2026, 3:57:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 29 min 23 sec
CPU time 26 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.92 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:29:01 (50836): wrapper (7.9.26016): starting
23:29:01 (50836): 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
23:29:03 (50836): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:29:03 (50836): 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
23:57:09 (50836): C:/Windows/system32/cmd.exe exited; CPU time 1611.296875
23:57:09 (50836): 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: 45316803 bytes.
Dumping objects ->
{3835253} normal block at 0x0000027B42A659D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000027B42A65180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000027B42A655E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000027B42A64EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000027B42A65730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000027B429BD200, 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) : {3835165} normal block at 0x0000027B40B9CC20, 8 bytes long.
 Data: <  &A{   > 00 00 26 41 7B 02 00 00 
{3833995} normal block at 0x0000027B40B9D300, 8 bytes long.
 Data: <@&#166;&#165;B{   > 40 A6 A5 42 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000027B40B98350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000027B40B99240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x0000027B40BA5F70, 16 bytes long.
 Data: <xf&#186;@{           > 78 66 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000027B40BA5B10, 16 bytes long.
 Data: <Pf&#186;@{           > 50 66 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000027B40B9EBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x0000027B40BA5F20, 16 bytes long.
 Data: <(f&#186;@{           > 28 66 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000027B40BA5890, 16 bytes long.
 Data: < f&#186;@{           > 00 66 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000027B40BA5A70, 16 bytes long.
 Data: <&#216;e&#186;@{           > D8 65 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000027B40BA5840, 16 bytes long.
 Data: <&#176;e&#186;@{           > B0 65 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000027B40B9FDA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x0000027B40BA57F0, 16 bytes long.
 Data: < &#217;&#184;@{           > 98 D9 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000027B40B9E980, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x0000027B40BA5520, 16 bytes long.
 Data: <p&#217;&#184;@{           > 70 D9 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000027B40BA57A0, 16 bytes long.
 Data: <H&#217;&#184;@{           > 48 D9 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027B40BA6060, 16 bytes long.
 Data: < &#217;&#184;@{           > 20 D9 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027B40BA56B0, 16 bytes long.
 Data: <&#248;&#216;&#184;@{           > F8 D8 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027B40BA6240, 16 bytes long.
 Data: <&#208;&#216;&#184;@{           > D0 D8 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027B40BA54D0, 16 bytes long.
 Data: <&#168;&#216;&#184;@{           > A8 D8 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027B40B9E9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x0000027B40BA6150, 16 bytes long.
 Data: < &#216;&#184;@{           > 80 D8 B8 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027B40B8D880, 320 bytes long.
 Data: <Pa&#186;@{   &#224;&#233;&#185;@{   > 50 61 BA 40 7B 02 00 00 E0 E9 B9 40 7B 02 00 00 
{293} normal block at 0x0000027B40BA5700, 16 bytes long.
 Data: < e&#186;@{           > 90 65 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027B40BA5A20, 16 bytes long.
 Data: <he&#186;@{           > 68 65 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027B40B9E8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x0000027B40BA5930, 16 bytes long.
 Data: <@e&#186;@{           > 40 65 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027B40B9EF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x0000027B40BA5430, 16 bytes long.
 Data: < d&#186;@{           > 88 64 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027B40BA5750, 16 bytes long.
 Data: <`d&#186;@{           > 60 64 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027B40BA5DE0, 16 bytes long.
 Data: <8d&#186;@{           > 38 64 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027B40BA6010, 16 bytes long.
 Data: < d&#186;@{           > 10 64 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027B40BA5480, 16 bytes long.
 Data: <&#232;c&#186;@{           > E8 63 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027B40BA6100, 16 bytes long.
 Data: <&#192;c&#186;@{           > C0 63 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027B40BA5660, 16 bytes long.
 Data: <p&#251;&#185;@{           > 70 FB B9 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027B40B9FB70, 40 bytes long.
 Data: <`V&#186;@{    &#210;&#155;B{   > 60 56 BA 40 7B 02 00 00 00 D2 9B 42 7B 02 00 00 
{279} normal block at 0x0000027B40BA55C0, 16 bytes long.
 Data: <&#160;c&#186;@{           > A0 63 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027B40BA5610, 16 bytes long.
 Data: <xc&#186;@{           > 78 63 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027B40B9F760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x0000027B40BA5C00, 16 bytes long.
 Data: <Pc&#186;@{           > 50 63 BA 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027B40BA6350, 992 bytes long.
 Data: < \&#186;@{   `&#247;&#185;@{   > 00 5C BA 40 7B 02 00 00 60 F7 B9 40 7B 02 00 00 
{111} normal block at 0x0000027B40B9F3A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x0000027B40B9D170, 16 bytes long.
 Data: <&#240;&#254;&#185;@{           > F0 FE B9 40 7B 02 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000027B40B9FEF0, 40 bytes long.
 Data: <p&#209;&#185;@{   &#160;&#243;&#185;@{   > 70 D1 B9 40 7B 02 00 00 A0 F3 B9 40 7B 02 00 00 
{88} normal block at 0x0000027B40B9CDB0, 16 bytes long.
 Data: < &#234; .&#246;           > 80 EA 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000027B40B9CB80, 16 bytes long.
 Data: <@&#233; .&#246;           > 40 E9 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000027B40B9C8B0, 16 bytes long.
 Data: <&#248;W .&#246;           > F8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000027B40B9CBD0, 16 bytes long.
 Data: <&#216;W .&#246;           > D8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000027B40B9D2B0, 16 bytes long.
 Data: <P  .&#246;           > 50 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000027B40B9D4E0, 16 bytes long.
 Data: <0  .&#246;           > 30 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000027B40B9C900, 16 bytes long.
 Data: <&#224;  .&#246;           > E0 02 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000027B40B9D580, 16 bytes long.
 Data: <   .&#246;           > 10 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000027B40B9D350, 16 bytes long.
 Data: <p  .&#246;           > 70 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000027B40B9C9F0, 16 bytes long.
 Data: < &#192; .&#246;           > 18 C0 00 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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