Task 38672436

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8742_0
Workunit 31614578
Created 25 Oct 2026, 23:25:53 UTC
Sent 25 Oct 2026, 23:25:57 UTC
Report deadline 30 Oct 2026, 23:25:57 UTC
Received 25 Oct 2026, 23:57:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 29 min 44 sec
CPU time 28 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.02 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
00:27:10 (11352): wrapper (7.9.26016): starting
00:27:10 (11352): 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
00:27:11 (11352): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:27:11 (11352): 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
00:55:54 (11352): C:/Windows/system32/cmd.exe exited; CPU time 1696.843750
00:55:54 (11352): 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: 33808677 bytes.
Dumping objects ->
{3835262} normal block at 0x000001791671B300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001791671B3E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001791671B760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001791671AD50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001791671B450, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001791844DC90, 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) : {3835174} normal block at 0x00000179166EFBA0, 8 bytes long.
 Data: <  l y   > 00 00 6C 16 79 01 00 00 
{3833967} normal block at 0x00000179166EFAB0, 8 bytes long.
 Data: < wJ y   > 90 77 4A 18 79 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000179166F2D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000179166E8380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000179166F7730, 16 bytes long.
 Data: < &#135;o y           > 98 87 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000179166F7640, 16 bytes long.
 Data: <p&#135;o y           > 70 87 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000179166F2210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000179166F7F50, 16 bytes long.
 Data: <H&#135;o y           > 48 87 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000179166F76E0, 16 bytes long.
 Data: < &#135;o y           > 20 87 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000179166F8220, 16 bytes long.
 Data: <&#248;&#134;o y           > F8 86 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000179166F7690, 16 bytes long.
 Data: <&#208;&#134;o y           > D0 86 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000179166F5E10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000179166F81D0, 16 bytes long.
 Data: <  n y           > 98 04 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000179166F1D30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000179166F8360, 16 bytes long.
 Data: <p n y           > 70 04 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000179166F7B90, 16 bytes long.
 Data: <H n y           > 48 04 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000179166F7F00, 16 bytes long.
 Data: <  n y           > 20 04 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000179166F7FF0, 16 bytes long.
 Data: <&#248; n y           > F8 03 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000179166F83B0, 16 bytes long.
 Data: <&#208; n y           > D0 03 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000179166F7820, 16 bytes long.
 Data: <&#168; n y           > A8 03 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000179166F1B50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000179166F8130, 16 bytes long.
 Data: <  n y           > 80 03 6E 16 79 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000179166E0380, 320 bytes long.
 Data: <0 o y   P o y   > 30 81 6F 16 79 01 00 00 50 1B 6F 16 79 01 00 00 
{279} normal block at 0x00000179166F75F0, 16 bytes long.
 Data: <&#176;&#134;o y           > B0 86 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000179166F75A0, 16 bytes long.
 Data: < &#134;o y           > 88 86 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000179166F1C10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000179166F7A50, 16 bytes long.
 Data: <`&#134;o y           > 60 86 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000179166F2690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000179166F77D0, 16 bytes long.
 Data: <&#168;&#133;o y           > A8 85 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000179166F7EB0, 16 bytes long.
 Data: < &#133;o y           > 80 85 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000179166F7BE0, 16 bytes long.
 Data: <X&#133;o y           > 58 85 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000179166F7B40, 16 bytes long.
 Data: <0&#133;o y           > 30 85 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000179166F80E0, 16 bytes long.
 Data: < &#133;o y           > 08 85 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000179166F7D70, 16 bytes long.
 Data: <&#224;&#132;o y           > E0 84 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000179166F8040, 16 bytes long.
 Data: <&#240;^o y           > F0 5E 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000179166F5EF0, 40 bytes long.
 Data: <@ o y    &#220;D y   > 40 80 6F 16 79 01 00 00 90 DC 44 18 79 01 00 00 
{265} normal block at 0x00000179166F8090, 16 bytes long.
 Data: <&#192;&#132;o y           > C0 84 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000179166F8180, 16 bytes long.
 Data: < &#132;o y           > 98 84 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000179166F1E50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000179166F7FA0, 16 bytes long.
 Data: <p&#132;o y           > 70 84 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000179166F8470, 992 bytes long.
 Data: <&#160; o y   P o y   > A0 7F 6F 16 79 01 00 00 50 1E 6F 16 79 01 00 00 
{97} normal block at 0x00000179166F25D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000179166EF6A0, 16 bytes long.
 Data: < ^o y           > 80 5E 6F 16 79 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000179166F5E80, 40 bytes long.
 Data: <&#160;&#246;n y   &#208;%o y   > A0 F6 6E 16 79 01 00 00 D0 25 6F 16 79 01 00 00 
{74} normal block at 0x00000179166EF8D0, 16 bytes long.
 Data: < &#234;OD&#247;           > 80 EA 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000179166F00A0, 16 bytes long.
 Data: <@&#233;OD&#247;           > 40 E9 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000179166EF600, 16 bytes long.
 Data: <&#248;WLD&#247;           > F8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000179166EFD30, 16 bytes long.
 Data: <&#216;WLD&#247;           > D8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000179166EFA60, 16 bytes long.
 Data: <P LD&#247;           > 50 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000179166EF9C0, 16 bytes long.
 Data: <0 LD&#247;           > 30 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000179166EFF60, 16 bytes long.
 Data: <&#224; LD&#247;           > E0 02 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000179166EFBF0, 16 bytes long.
 Data: <  LD&#247;           > 10 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000179166EF7E0, 16 bytes long.
 Data: <p LD&#247;           > 70 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000179166EFEC0, 16 bytes long.
 Data: < &#192;JD&#247;           > 18 C0 4A 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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