Task 38655334

Name test_891-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND8529_0
Workunit 31599089
Created 24 Oct 2026, 9:32:52 UTC
Sent 24 Oct 2026, 9:32:53 UTC
Report deadline 29 Oct 2026, 9:32:53 UTC
Received 24 Oct 2026, 11:05:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 1 min 41 sec
CPU time 59 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.39 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:05:15 (13468): wrapper (7.9.26016): starting
05:05:15 (13468): 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
05:05:16 (13468): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:05:16 (13468): 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
06:05:25 (13468): C:/Windows/system32/cmd.exe exited; CPU time 3552.562500
06:05:25 (13468): 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: 69205733 bytes.
Dumping objects ->
{3835204} normal block at 0x000001761A959230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000017618CF4DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000017618CF4B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x0000017618CF4CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x0000017618CF4AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x000001761A965000, 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) : {3835116} normal block at 0x0000017618CEEFA0, 8 bytes long.
 Data: <  &#203; v   > 00 00 CB 18 76 01 00 00 
{3833967} normal block at 0x0000017618CEF720, 8 bytes long.
 Data: <0Z&#159; v   > 30 5A 9F 1A 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017618CF0890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017618CE6380, 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 0x0000017618CF5DC0, 16 bytes long.
 Data: <&#168;f&#207; v           > A8 66 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017618CF5C30, 16 bytes long.
 Data: < f&#207; v           > 80 66 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017618CF0540, 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 0x0000017618CF5B40, 16 bytes long.
 Data: <Xf&#207; v           > 58 66 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017618CF56E0, 16 bytes long.
 Data: <0f&#207; v           > 30 66 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017618CF5E60, 16 bytes long.
 Data: < f&#207; v           > 08 66 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017618CF5B90, 16 bytes long.
 Data: <&#224;e&#207; v           > E0 65 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017618CF4C10, 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 0x0000017618CF5550, 16 bytes long.
 Data: <X &#206; v           > 58 90 CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017618CEF940, 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 0x0000017618CF5870, 16 bytes long.
 Data: <0 &#206; v           > 30 90 CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017618CF60E0, 16 bytes long.
 Data: <  &#206; v           > 08 90 CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017618CF5780, 16 bytes long.
 Data: <&#224; &#206; v           > E0 8F CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017618CF6090, 16 bytes long.
 Data: <&#184; &#206; v           > B8 8F CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017618CF58C0, 16 bytes long.
 Data: <  &#206; v           > 90 8F CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017618CF6220, 16 bytes long.
 Data: <h &#206; v           > 68 8F CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017618CF0060, 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 0x0000017618CF5AF0, 16 bytes long.
 Data: <@ &#206; v           > 40 8F CE 18 76 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017618CE8F40, 320 bytes long.
 Data: <&#240;Z&#207; v   ` &#207; v   > F0 5A CF 18 76 01 00 00 60 00 CF 18 76 01 00 00 
{279} normal block at 0x0000017618CF59B0, 16 bytes long.
 Data: <&#192;e&#207; v           > C0 65 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017618CF5FF0, 16 bytes long.
 Data: < e&#207; v           > 98 65 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017618CF0780, 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 0x0000017618CF5410, 16 bytes long.
 Data: <pe&#207; v           > 70 65 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017618CEFB20, 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 0x0000017618CF61D0, 16 bytes long.
 Data: <&#184;d&#207; v           > B8 64 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017618CF55F0, 16 bytes long.
 Data: < d&#207; v           > 90 64 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017618CF55A0, 16 bytes long.
 Data: <hd&#207; v           > 68 64 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017618CF57D0, 16 bytes long.
 Data: <@d&#207; v           > 40 64 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017618CF6180, 16 bytes long.
 Data: < d&#207; v           > 18 64 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017618CF5C80, 16 bytes long.
 Data: <&#240;c&#207; v           > F0 63 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017618CF62C0, 16 bytes long.
 Data: < I&#207; v           > 00 49 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017618CF4900, 40 bytes long.
 Data: <&#192;b&#207; v    P&#150; v   > C0 62 CF 18 76 01 00 00 00 50 96 1A 76 01 00 00 
{265} normal block at 0x0000017618CF5E10, 16 bytes long.
 Data: <&#208;c&#207; v           > D0 63 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017618CF6130, 16 bytes long.
 Data: <&#168;c&#207; v           > A8 63 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017618CEF8E0, 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 0x0000017618CF5690, 16 bytes long.
 Data: < c&#207; v           > 80 63 CF 18 76 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017618CF6380, 992 bytes long.
 Data: < V&#207; v   &#224;&#248;&#206; v   > 90 56 CF 18 76 01 00 00 E0 F8 CE 18 76 01 00 00 
{97} normal block at 0x0000017618CEFD00, 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 0x0000017618CEF4F0, 16 bytes long.
 Data: <&#224;&#228;&#205; v           > E0 E4 CD 18 76 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000017618CDE4E0, 40 bytes long.
 Data: <&#240;&#244;&#206; v    &#253;&#206; v   > F0 F4 CE 18 76 01 00 00 00 FD CE 18 76 01 00 00 
{74} normal block at 0x0000017618CEEEB0, 16 bytes long.
 Data: < &#234; w&#246;           > 80 EA 10 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017618CEEF50, 16 bytes long.
 Data: <@&#233; w&#246;           > 40 E9 10 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017618CEF400, 16 bytes long.
 Data: <&#248;W w&#246;           > F8 57 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017618CEF360, 16 bytes long.
 Data: <&#216;W w&#246;           > D8 57 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017618CEEE60, 16 bytes long.
 Data: <P  w&#246;           > 50 04 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017618CEF5E0, 16 bytes long.
 Data: <0  w&#246;           > 30 04 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017618CEF0E0, 16 bytes long.
 Data: <&#224;  w&#246;           > E0 02 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017618CEE8C0, 16 bytes long.
 Data: <   w&#246;           > 10 04 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017618CEEFF0, 16 bytes long.
 Data: <p  w&#246;           > 70 04 0D 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017618CEF040, 16 bytes long.
 Data: < &#192; w&#246;           > 18 C0 0B 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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