Task 38678770

Name test_450-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3840_0
Workunit 31620576
Created 26 Oct 2026, 18:27:02 UTC
Sent 26 Oct 2026, 18:27:04 UTC
Report deadline 31 Oct 2026, 18:27:04 UTC
Received 26 Oct 2026, 18:49:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 21 min 56 sec
CPU time 21 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.52 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:28:08 (64360): wrapper (7.9.26016): starting
14:28:08 (64360): 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
14:28:09 (64360): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:28:09 (64360): 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 'G:\BoincData\slots\21\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 'G:\BoincData\slots\21\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
14:49:13 (64360): C:/Windows/system32/cmd.exe exited; CPU time 1262.421875
14:49:13 (64360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 28293955 bytes.
Dumping objects ->
{3835574} normal block at 0x00000213BDE80A70, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x00000213BDFC6260, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x00000213BDFC5C60, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x00000213BDFC5DE0, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x00000213BDFC6200, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x00000213BDE81020, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x00000213BC31EFD0, 8 bytes long.
 Data: <  -&#188;    > 00 00 2D BC 13 02 00 00 
{3833957} normal block at 0x00000213BC31F570, 8 bytes long.
 Data: <p&#231;&#232;&#189;    > 70 E7 E8 BD 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000213BC321CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000213BC3198C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000213BC32D4A0, 16 bytes long.
 Data: <8&#221;2&#188;            > 38 DD 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000213BC32D220, 16 bytes long.
 Data: < &#221;2&#188;            > 10 DD 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000213BC329F40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000213BC32D4F0, 16 bytes long.
 Data: <&#232;&#220;2&#188;            > E8 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000213BC32D450, 16 bytes long.
 Data: <&#192;&#220;2&#188;            > C0 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000213BC32CD20, 16 bytes long.
 Data: < &#220;2&#188;            > 98 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000213BC32CC30, 16 bytes long.
 Data: <p&#220;2&#188;            > 70 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000213BC326F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000213BC32D1D0, 16 bytes long.
 Data: <&#248;&#154;1&#188;            > F8 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000213BC329760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000213BC32CF00, 16 bytes long.
 Data: <&#208;&#154;1&#188;            > D0 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000213BC32CBE0, 16 bytes long.
 Data: <&#168;&#154;1&#188;            > A8 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213BC32CFF0, 16 bytes long.
 Data: < &#154;1&#188;            > 80 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000213BC32D860, 16 bytes long.
 Data: <X&#154;1&#188;            > 58 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000213BC32CEB0, 16 bytes long.
 Data: <0&#154;1&#188;            > 30 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000213BC32CB90, 16 bytes long.
 Data: < &#154;1&#188;            > 08 9A 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000213BC3299A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000213BC32D8B0, 16 bytes long.
 Data: <&#224; 1&#188;            > E0 99 31 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000213BC3199E0, 320 bytes long.
 Data: <&#176;&#216;2&#188;    &#160; 2&#188;    > B0 D8 32 BC 13 02 00 00 A0 99 32 BC 13 02 00 00 
{274} normal block at 0x00000213BC32CFA0, 16 bytes long.
 Data: <P&#220;2&#188;            > 50 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000213BC32D9A0, 16 bytes long.
 Data: <(&#220;2&#188;            > 28 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000213BC329AC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000213BC32D3B0, 16 bytes long.
 Data: < &#220;2&#188;            > 00 DC 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000213BC3294C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000213BC32D180, 16 bytes long.
 Data: <H&#219;2&#188;            > 48 DB 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213BC32CB40, 16 bytes long.
 Data: < &#219;2&#188;            > 20 DB 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000213BC32D130, 16 bytes long.
 Data: <&#248;&#218;2&#188;            > F8 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000213BC32D090, 16 bytes long.
 Data: <&#208;&#218;2&#188;            > D0 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000213BC32D770, 16 bytes long.
 Data: <&#168;&#218;2&#188;            > A8 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000213BC32CA50, 16 bytes long.
 Data: < &#218;2&#188;            > 80 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213BC32CAF0, 16 bytes long.
 Data: < n2&#188;            > 90 6E 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000213BC326E90, 40 bytes long.
 Data: <&#240;&#202;2&#188;      &#232;&#189;    > F0 CA 32 BC 13 02 00 00 20 10 E8 BD 13 02 00 00 
{260} normal block at 0x00000213BC32D7C0, 16 bytes long.
 Data: <`&#218;2&#188;            > 60 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000213BC32D270, 16 bytes long.
 Data: <8&#218;2&#188;            > 38 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000213BC329640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000213BC32CE60, 16 bytes long.
 Data: < &#218;2&#188;            > 10 DA 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000213BC32DA10, 992 bytes long.
 Data: <`&#206;2&#188;    @&#150;2&#188;    > 60 CE 32 BC 13 02 00 00 40 96 32 BC 13 02 00 00 
{92} normal block at 0x00000213BC32A120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000213BC31F7A0, 16 bytes long.
 Data: <&#192;i2&#188;            > C0 69 32 BC 13 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000213BC3269C0, 40 bytes long.
 Data: <&#160;&#247;1&#188;     &#161;2&#188;    > A0 F7 31 BC 13 02 00 00 20 A1 32 BC 13 02 00 00 
{69} normal block at 0x00000213BC31F340, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000213BC31EF30, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000213BC31F480, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000213BC31EEE0, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000213BC31F890, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000213BC31F5C0, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000213BC31F110, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000213BC31EE90, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000213BC31F390, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000213BC31F700, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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