Task 38679452

Name test_563-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8357_0
Workunit 31621226
Created 26 Oct 2026, 20:37:22 UTC
Sent 26 Oct 2026, 20:37:25 UTC
Report deadline 31 Oct 2026, 20:37:25 UTC
Received 26 Oct 2026, 22:12:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 22 min 57 sec
CPU time 21 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 772.48 MB
Peak swap size 10.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:50:21 (16008): wrapper (7.9.26016): starting
23:50:21 (16008): 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
23:50:24 (16008): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:50:24 (16008): 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
00:12:32 (16008): C:/Windows/system32/cmd.exe exited; CPU time 1273.328125
00:12:32 (16008): 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: 20607245 bytes.
Dumping objects ->
{3835317} normal block at 0x0000024D622A7110, 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 0x0000024D622A7180, 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 0x0000024D622A70A0, 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 0x0000024D622A6BD0, 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 0x0000024D622A71F0, 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 0x0000024D63F58750, 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 0x0000024D63F702E0, 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 0x0000024D6229EFB0, 8 bytes long.
 Data: <  fbM   > 00 00 66 62 4D 02 00 00 
{3834592} normal block at 0x0000024D63F70020, 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 0x0000024D6229F6E0, 8 bytes long.
 Data: < k&#254;cM   > 20 6B FE 63 4D 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024D622A11E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024D62295DB0, 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 0x0000024D622A78A0, 16 bytes long.
 Data: <&#232;&#133;*bM           > E8 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024D622A7F30, 16 bytes long.
 Data: <&#192;&#133;*bM           > C0 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024D6229DBD0, 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 0x0000024D622A7940, 16 bytes long.
 Data: < &#133;*bM           > 98 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024D622A7530, 16 bytes long.
 Data: <p&#133;*bM           > 70 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024D622A7DF0, 16 bytes long.
 Data: <H&#133;*bM           > 48 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024D622A7E90, 16 bytes long.
 Data: < &#133;*bM           > 20 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024D622A6E00, 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 0x0000024D622A7B20, 16 bytes long.
 Data: <H&#235;(bM           > 48 EB 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024D6229DF30, 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 0x0000024D622A75D0, 16 bytes long.
 Data: < &#235;(bM           > 20 EB 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024D622A77B0, 16 bytes long.
 Data: <&#248;&#234;(bM           > F8 EA 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024D622A7800, 16 bytes long.
 Data: <&#208;&#234;(bM           > D0 EA 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024D622A7350, 16 bytes long.
 Data: <&#168;&#234;(bM           > A8 EA 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024D622A7300, 16 bytes long.
 Data: < &#234;(bM           > 80 EA 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024D622A73F0, 16 bytes long.
 Data: <X&#234;(bM           > 58 EA 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024D6229D750, 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 0x0000024D622A7DA0, 16 bytes long.
 Data: <0&#234;(bM           > 30 EA 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024D6228EA30, 320 bytes long.
 Data: <&#160;}*bM   P&#215;)bM   > A0 7D 2A 62 4D 02 00 00 50 D7 29 62 4D 02 00 00 
{280} normal block at 0x0000024D622A7BC0, 16 bytes long.
 Data: < &#133;*bM           > 00 85 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024D622A7A30, 16 bytes long.
 Data: <&#216;&#132;*bM           > D8 84 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024D6229DC90, 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 0x0000024D622A8160, 16 bytes long.
 Data: <&#176;&#132;*bM           > B0 84 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024D6229DE70, 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 0x0000024D622A7D50, 16 bytes long.
 Data: <&#248; *bM           > F8 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024D622A8110, 16 bytes long.
 Data: <&#208; *bM           > D0 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024D622A7C60, 16 bytes long.
 Data: <&#168; *bM           > A8 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024D622A7AD0, 16 bytes long.
 Data: <  *bM           > 80 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024D622A7580, 16 bytes long.
 Data: <X *bM           > 58 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024D622A81B0, 16 bytes long.
 Data: <0 *bM           > 30 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024D622A80C0, 16 bytes long.
 Data: < m*bM           > 90 6D 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024D622A6D90, 40 bytes long.
 Data: <&#192; *bM   P&#135;&#245;cM   > C0 80 2A 62 4D 02 00 00 50 87 F5 63 4D 02 00 00 
{266} normal block at 0x0000024D622A7C10, 16 bytes long.
 Data: <  *bM           > 10 83 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024D622A7F80, 16 bytes long.
 Data: <&#232;&#130;*bM           > E8 82 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024D6229DAB0, 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 0x0000024D622A7D00, 16 bytes long.
 Data: <&#192;&#130;*bM           > C0 82 2A 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024D622A82C0, 992 bytes long.
 Data: < }*bM   &#176;&#218;)bM   > 00 7D 2A 62 4D 02 00 00 B0 DA 29 62 4D 02 00 00 
{98} normal block at 0x0000024D6229DD50, 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 0x0000024D6229FAA0, 16 bytes long.
 Data: < &#204;(bM           > 00 CC 28 62 4D 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000024D6228CC00, 40 bytes long.
 Data: <&#160;&#250;)bM   P&#221;)bM   > A0 FA 29 62 4D 02 00 00 50 DD 29 62 4D 02 00 00 
{75} normal block at 0x0000024D6229F000, 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 0x0000024D6229F280, 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 0x0000024D6229F910, 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 0x0000024D6229F780, 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 0x0000024D6229F640, 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 0x0000024D6229F820, 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 0x0000024D6229FC30, 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 0x0000024D6229FA50, 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 0x0000024D6229F8C0, 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 0x0000024D6229FD20, 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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