Task 38677100

Name test_637-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0567_0
Workunit 31618983
Created 26 Oct 2026, 13:17:43 UTC
Sent 26 Oct 2026, 13:17:45 UTC
Report deadline 31 Oct 2026, 13:17:45 UTC
Received 26 Oct 2026, 14:08:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 21 min 31 sec
CPU time 21 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.97 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:42:56 (23768): wrapper (7.9.26016): starting
08:42:56 (23768): 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
08:42:57 (23768): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:42:57 (23768): 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 'M:\BOINC\slots\27\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 'M:\BOINC\slots\27\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
09:05:12 (23768): C:/Windows/system32/cmd.exe exited; CPU time 1301.375000
09:05:12 (23768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 25559209 bytes.
Dumping objects ->
{3835626} normal block at 0x0000020B3AC24F20, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x0000020B3C9854E0, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x0000020B3C985000, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x0000020B3C984760, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x0000020B3C985180, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x0000020B3AC24EB0, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x0000020B3AC1A9B0, 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) : {3835537} normal block at 0x0000020B3AC1D630, 8 bytes long.
 Data: <  &#186;:    > 00 00 BA 3A 0B 02 00 00 
{3834737} normal block at 0x0000020B3AC1B450, 200 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 0x0000020B3AC1DB30, 8 bytes long.
 Data: <&#176;&#227;y<    > B0 E3 79 3C 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020B3AC20FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020B3AC161A0, 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 0x0000020B3AC25B40, 16 bytes long.
 Data: <&#216;h&#194;:            > D8 68 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B3AC26310, 16 bytes long.
 Data: <&#176;h&#194;:            > B0 68 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020B3AC1F5A0, 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 0x0000020B3AC262C0, 16 bytes long.
 Data: < h&#194;:            > 88 68 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B3AC25730, 16 bytes long.
 Data: <`h&#194;:            > 60 68 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B3AC25780, 16 bytes long.
 Data: <8h&#194;:            > 38 68 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B3AC26220, 16 bytes long.
 Data: < h&#194;:            > 10 68 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B3AC249E0, 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 0x0000020B3AC25EB0, 16 bytes long.
 Data: <(&#245;&#192;:            > 28 F5 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B3AC1F2A0, 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 0x0000020B3AC25A50, 16 bytes long.
 Data: < &#245;&#192;:            > 00 F5 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020B3AC26180, 16 bytes long.
 Data: <&#216;&#244;&#192;:            > D8 F4 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B3AC26450, 16 bytes long.
 Data: <&#176;&#244;&#192;:            > B0 F4 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B3AC25A00, 16 bytes long.
 Data: < &#244;&#192;:            > 88 F4 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B3AC259B0, 16 bytes long.
 Data: <`&#244;&#192;:            > 60 F4 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B3AC255F0, 16 bytes long.
 Data: <8&#244;&#192;:            > 38 F4 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B3AC1F840, 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 0x0000020B3AC25D70, 16 bytes long.
 Data: < &#244;&#192;:            > 10 F4 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B3AC0F410, 320 bytes long.
 Data: <p]&#194;:    @&#248;&#193;:    > 70 5D C2 3A 0B 02 00 00 40 F8 C1 3A 0B 02 00 00 
{277} normal block at 0x0000020B3AC26400, 16 bytes long.
 Data: <&#240;g&#194;:            > F0 67 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B3AC25BE0, 16 bytes long.
 Data: <&#200;g&#194;:            > C8 67 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B3AC1F480, 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 0x0000020B3AC26270, 16 bytes long.
 Data: <&#160;g&#194;:            > A0 67 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B3AC1F300, 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 0x0000020B3AC264A0, 16 bytes long.
 Data: <&#232;f&#194;:            > E8 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B3AC26090, 16 bytes long.
 Data: <&#192;f&#194;:            > C0 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020B3AC257D0, 16 bytes long.
 Data: < f&#194;:            > 98 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B3AC25AA0, 16 bytes long.
 Data: <pf&#194;:            > 70 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B3AC25820, 16 bytes long.
 Data: <Hf&#194;:            > 48 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B3AC25F50, 16 bytes long.
 Data: < f&#194;:            > 20 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B3AC25960, 16 bytes long.
 Data: <PJ&#194;:            > 50 4A C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B3AC24A50, 40 bytes long.
 Data: <`Y&#194;:    &#176;N&#194;:    > 60 59 C2 3A 0B 02 00 00 B0 4E C2 3A 0B 02 00 00 
{263} normal block at 0x0000020B3AC263B0, 16 bytes long.
 Data: < f&#194;:            > 00 66 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B3AC26360, 16 bytes long.
 Data: <&#216;e&#194;:            > D8 65 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B3AC1F540, 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 0x0000020B3AC26130, 16 bytes long.
 Data: <&#176;e&#194;:            > B0 65 C2 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B3AC265B0, 992 bytes long.
 Data: <0a&#194;:    @&#245;&#193;:    > 30 61 C2 3A 0B 02 00 00 40 F5 C1 3A 0B 02 00 00 
{95} normal block at 0x0000020B3AC1F3C0, 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 0x0000020B3AC1DFE0, 16 bytes long.
 Data: <`&#230;&#192;:            > 60 E6 C0 3A 0B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020B3AC0E660, 40 bytes long.
 Data: <&#224;&#223;&#193;:    &#192;&#243;&#193;:    > E0 DF C1 3A 0B 02 00 00 C0 F3 C1 3A 0B 02 00 00 
{72} normal block at 0x0000020B3AC1D950, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020B3AC1D9A0, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020B3AC1DB80, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B3AC1DEA0, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B3AC1D8B0, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B3AC1DEF0, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B3AC1D360, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B3AC1DC70, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B3AC1DA40, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B3AC1DE00, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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