Task 38665128

Name test_423-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7893_0
Workunit 31608248
Created 25 Oct 2026, 0:41:47 UTC
Sent 25 Oct 2026, 1:03:21 UTC
Report deadline 30 Oct 2026, 1:03:21 UTC
Received 25 Oct 2026, 7:46:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652367
Run time 1 hours 22 min 15 sec
CPU time 1 hours 16 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,724.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.05 MB
Peak swap size 13.00 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:26:39 (29056): wrapper (7.9.26016): starting
09:26:39 (29056): 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
09:26:43 (29056): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:26:43 (29056): 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\32\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\32\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
10:45:31 (29056): C:/Windows/system32/cmd.exe exited; CPU time 4597.265625
10:45:31 (29056): 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: 113521221 bytes.
Dumping objects ->
{3835569} normal block at 0x00000279F32EB890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000279F32EB430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000279F32EB190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000279F32C5560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000279F32C54F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x00000279F50D8430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x00000279F50EEA20, 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) : {3835480} normal block at 0x00000279F32BE470, 8 bytes long.
 Data: <  &#219;&#244;y   > 00 00 DB F4 79 02 00 00 
{3834737} normal block at 0x00000279F50EED90, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834008} normal block at 0x00000279F32BDF70, 8 bytes long.
 Data: <P&#228;&#254;&#244;y   > 50 E4 FE F4 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000279F32C2590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000279F32B6A80, 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 0x00000279F32C69C0, 16 bytes long.
 Data: <&#216;o,&#243;y           > D8 6F 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000279F32C66F0, 16 bytes long.
 Data: <&#176;o,&#243;y           > B0 6F 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000279F32C0760, 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 0x00000279F32C6100, 16 bytes long.
 Data: < o,&#243;y           > 88 6F 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000279F32C6600, 16 bytes long.
 Data: <`o,&#243;y           > 60 6F 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000279F32C6290, 16 bytes long.
 Data: <8o,&#243;y           > 38 6F 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000279F32C6B00, 16 bytes long.
 Data: < o,&#243;y           > 10 6F 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000279F32C5640, 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 0x00000279F32C6470, 16 bytes long.
 Data: <&#168;&#188;*&#243;y           > A8 BC 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000279F32BFCE0, 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 0x00000279F32C6790, 16 bytes long.
 Data: < &#188;*&#243;y           > 80 BC 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000279F32C6B50, 16 bytes long.
 Data: <X&#188;*&#243;y           > 58 BC 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000279F32C6650, 16 bytes long.
 Data: <0&#188;*&#243;y           > 30 BC 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000279F32C6880, 16 bytes long.
 Data: < &#188;*&#243;y           > 08 BC 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000279F32C67E0, 16 bytes long.
 Data: <&#224;&#187;*&#243;y           > E0 BB 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000279F32C6240, 16 bytes long.
 Data: <&#184;&#187;*&#243;y           > B8 BB 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000279F32BFDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000279F32C5DE0, 16 bytes long.
 Data: < &#187;*&#243;y           > 90 BB 2A F3 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000279F32ABB90, 320 bytes long.
 Data: <&#224;],&#243;y   &#160;&#253;+&#243;y   > E0 5D 2C F3 79 02 00 00 A0 FD 2B F3 79 02 00 00 
{280} normal block at 0x00000279F32C5D40, 16 bytes long.
 Data: <&#240;n,&#243;y           > F0 6E 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000279F32C66A0, 16 bytes long.
 Data: <&#200;n,&#243;y           > C8 6E 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000279F32C0340, 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 0x00000279F32C6BA0, 16 bytes long.
 Data: <&#160;n,&#243;y           > A0 6E 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000279F32C0100, 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 0x00000279F32C5ED0, 16 bytes long.
 Data: <&#232;m,&#243;y           > E8 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000279F32C62E0, 16 bytes long.
 Data: <&#192;m,&#243;y           > C0 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000279F32C5CF0, 16 bytes long.
 Data: < m,&#243;y           > 98 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000279F32C6C40, 16 bytes long.
 Data: <pm,&#243;y           > 70 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000279F32C5D90, 16 bytes long.
 Data: <Hm,&#243;y           > 48 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000279F32C5E80, 16 bytes long.
 Data: < m,&#243;y           > 20 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000279F32C68D0, 16 bytes long.
 Data: <&#208;U,&#243;y           > D0 55 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000279F32C55D0, 40 bytes long.
 Data: <&#208;h,&#243;y   0&#132; &#245;y   > D0 68 2C F3 79 02 00 00 30 84 0D F5 79 02 00 00 
{266} normal block at 0x00000279F32C6740, 16 bytes long.
 Data: < m,&#243;y           > 00 6D 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000279F32C60B0, 16 bytes long.
 Data: <&#216;l,&#243;y           > D8 6C 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000279F32C05E0, 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 0x00000279F32C6970, 16 bytes long.
 Data: <&#176;l,&#243;y           > B0 6C 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000279F32C6CB0, 992 bytes long.
 Data: <pi,&#243;y   &#224; ,&#243;y   > 70 69 2C F3 79 02 00 00 E0 05 2C F3 79 02 00 00 
{98} normal block at 0x00000279F32C02E0, 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 0x00000279F32BE380, 16 bytes long.
 Data: <&#160;S,&#243;y           > A0 53 2C F3 79 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000279F32C53A0, 40 bytes long.
 Data: < &#227;+&#243;y   &#224; ,&#243;y   > 80 E3 2B F3 79 02 00 00 E0 02 2C F3 79 02 00 00 
{75} normal block at 0x00000279F32BE240, 16 bytes long.
 Data: < &#234;&#154; &#247;           > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000279F32BE2E0, 16 bytes long.
 Data: <@&#233;&#154; &#247;           > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000279F32BE740, 16 bytes long.
 Data: <&#248;W&#151; &#247;           > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000279F32BE100, 16 bytes long.
 Data: <&#216;W&#151; &#247;           > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000279F32BDA70, 16 bytes long.
 Data: <P &#151; &#247;           > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000279F32BDE80, 16 bytes long.
 Data: <0 &#151; &#247;           > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000279F32BD890, 16 bytes long.
 Data: <&#224; &#151; &#247;           > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000279F32BE7E0, 16 bytes long.
 Data: <  &#151; &#247;           > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000279F32BD930, 16 bytes long.
 Data: <p &#151; &#247;           > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000279F32BDA20, 16 bytes long.
 Data: < &#192;&#149; &#247;           > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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