Task 38679657

Name test_370-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8974_0
Workunit 31621424
Created 26 Oct 2026, 21:17:21 UTC
Sent 26 Oct 2026, 21:17:24 UTC
Report deadline 31 Oct 2026, 21:17:24 UTC
Received 26 Oct 2026, 22:57:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 24 min 59 sec
CPU time 23 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 779.59 MB
Peak swap size 9.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:32:37 (15172): wrapper (7.9.26016): starting
00:32:37 (15172): 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
00:32:39 (15172): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:32:39 (15172): 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\1\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\1\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
00:56:49 (15172): C:/Windows/system32/cmd.exe exited; CPU time 1393.468750
00:56:49 (15172): 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: 22467217 bytes.
Dumping objects ->
{3835317} normal block at 0x000001637B0652A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x000001637B064F20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000001637B0651C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x000001637B065150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000001637B0650E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000001637CE740A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001637CE8F160, 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) : {3835228} normal block at 0x000001637B05D8D0, 8 bytes long.
 Data: <  &#188;|c   > 00 00 BC 7C 63 01 00 00 
{3834592} normal block at 0x000001637CE8F000, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001637B05DA60, 8 bytes long.
 Data: <&#192;G {c   > C0 47 06 7B 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001637B061840, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001637B055D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001637B065C50, 16 bytes long.
 Data: <Xh {c           > 58 68 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001637B065840, 16 bytes long.
 Data: <0h {c           > 30 68 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001637B05F210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001637B0657A0, 16 bytes long.
 Data: < h {c           > 08 68 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001637B0661F0, 16 bytes long.
 Data: <&#224;g {c           > E0 67 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001637B066100, 16 bytes long.
 Data: <&#184;g {c           > B8 67 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001637B0662E0, 16 bytes long.
 Data: < g {c           > 90 67 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001637B0653F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001637B065750, 16 bytes long.
 Data: <   {c           > 18 8E 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001637B05FBD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001637B0660B0, 16 bytes long.
 Data: <&#240;&#141; {c           > F0 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001637B066060, 16 bytes long.
 Data: <&#200;&#141; {c           > C8 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001637B066470, 16 bytes long.
 Data: <&#160;&#141; {c           > A0 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001637B065E80, 16 bytes long.
 Data: <x&#141; {c           > 78 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001637B0655C0, 16 bytes long.
 Data: <P&#141; {c           > 50 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001637B066010, 16 bytes long.
 Data: <(&#141; {c           > 28 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001637B05EFD0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x000001637B065E30, 16 bytes long.
 Data: < &#141; {c           > 00 8D 05 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001637B058D00, 320 bytes long.
 Data: <0^ {c   &#208;&#239; {c   > 30 5E 06 7B 63 01 00 00 D0 EF 05 7B 63 01 00 00 
{280} normal block at 0x000001637B065FC0, 16 bytes long.
 Data: <pg {c           > 70 67 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001637B065D90, 16 bytes long.
 Data: <Hg {c           > 48 67 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001637B05F9F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001637B065570, 16 bytes long.
 Data: < g {c           > 20 67 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001637B05FC30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001637B065700, 16 bytes long.
 Data: <hf {c           > 68 66 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001637B065AC0, 16 bytes long.
 Data: <@f {c           > 40 66 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001637B065F70, 16 bytes long.
 Data: < f {c           > 18 66 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001637B065660, 16 bytes long.
 Data: <&#240;e {c           > F0 65 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001637B065ED0, 16 bytes long.
 Data: <&#200;e {c           > C8 65 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001637B065930, 16 bytes long.
 Data: <&#160;e {c           > A0 65 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001637B0661A0, 16 bytes long.
 Data: <`M {c           > 60 4D 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001637B064D60, 40 bytes long.
 Data: <&#160;a {c   &#160;@&#231;|c   > A0 61 06 7B 63 01 00 00 A0 40 E7 7C 63 01 00 00 
{266} normal block at 0x000001637B066380, 16 bytes long.
 Data: < e {c           > 80 65 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001637B0656B0, 16 bytes long.
 Data: <Xe {c           > 58 65 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001637B05F390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001637B065F20, 16 bytes long.
 Data: <0e {c           > 30 65 06 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001637B066530, 992 bytes long.
 Data: < _ {c    &#243; {c   > 20 5F 06 7B 63 01 00 00 90 F3 05 7B 63 01 00 00 
{98} normal block at 0x000001637B05F0F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001637B05DBA0, 16 bytes long.
 Data: < &#204; {c           > 00 CC 04 7B 63 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001637B04CC00, 40 bytes long.
 Data: <&#160;&#219; {c   &#240;&#240; {c   > A0 DB 05 7B 63 01 00 00 F0 F0 05 7B 63 01 00 00 
{75} normal block at 0x000001637B05D010, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001637B05DC90, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001637B05DC40, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001637B05DAB0, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001637B05D4C0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001637B05D6A0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001637B05D650, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001637B05CFC0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001637B05D470, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001637B05D600, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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