Task 38679559

Name test_698-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2961_0
Workunit 31621331
Created 26 Oct 2026, 20:57:59 UTC
Sent 26 Oct 2026, 20:58:06 UTC
Report deadline 31 Oct 2026, 20:58:06 UTC
Received 26 Oct 2026, 22:34:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 34 min 10 sec
CPU time 32 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.23 GB
Peak swap size 6.86 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:00:41 (25660): wrapper (7.9.26016): starting
17:00:41 (25660): 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
17:00:42 (25660): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:00:42 (25660): 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
17:33:49 (25660): C:/Windows/system32/cmd.exe exited; CPU time 1977.453125
17:33:49 (25660): 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: 26814857 bytes.
Dumping objects ->
{3835250} normal block at 0x000001BCCE1CE3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001BCCE1CD700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001BCCE1CDD20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001BCCC4F51B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001BCCC4F4F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001BCCE21AD30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001BCCE22F710, 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) : {3835161} normal block at 0x000001BCCC4EDF50, 8 bytes long.
 Data: <  &#155;&#204;&#188;   > 00 00 9B CC BC 01 00 00 
{3834554} normal block at 0x000001BCCE22F030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001BCCC4EE0E0, 8 bytes long.
 Data: <&#240;T'&#206;&#188;   > F0 54 27 CE BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BCCC4F1740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BCCC4E6920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001BCCC4F6290, 16 bytes long.
 Data: <&#184;lO&#204;&#188;           > B8 6C 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BCCC4F5CF0, 16 bytes long.
 Data: < lO&#204;&#188;           > 90 6C 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BCCC4F0050, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001BCCC4F6240, 16 bytes long.
 Data: <hlO&#204;&#188;           > 68 6C 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BCCC4F68D0, 16 bytes long.
 Data: <@lO&#204;&#188;           > 40 6C 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BCCC4F5DE0, 16 bytes long.
 Data: < lO&#204;&#188;           > 18 6C 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BCCC4F6830, 16 bytes long.
 Data: <&#240;kO&#204;&#188;           > F0 6B 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BCCC4F5290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001BCCC4F61F0, 16 bytes long.
 Data: <&#200;&#246;M&#204;&#188;           > C8 F6 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BCCC4EF9F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001BCCC4F6150, 16 bytes long.
 Data: <&#160;&#246;M&#204;&#188;           > A0 F6 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BCCC4F60B0, 16 bytes long.
 Data: <x&#246;M&#204;&#188;           > 78 F6 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BCCC4F6060, 16 bytes long.
 Data: <P&#246;M&#204;&#188;           > 50 F6 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BCCC4F6740, 16 bytes long.
 Data: <(&#246;M&#204;&#188;           > 28 F6 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BCCC4F6010, 16 bytes long.
 Data: < &#246;M&#204;&#188;           > 00 F6 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BCCC4F5ED0, 16 bytes long.
 Data: <&#216;&#245;M&#204;&#188;           > D8 F5 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BCCC4EF570, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001BCCC4F6380, 16 bytes long.
 Data: <&#176;&#245;M&#204;&#188;           > B0 F5 4D CC BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BCCC4DF5B0, 320 bytes long.
 Data: < cO&#204;&#188;   p&#245;N&#204;&#188;   > 80 63 4F CC BC 01 00 00 70 F5 4E CC BC 01 00 00 
{276} normal block at 0x000001BCCC4F6880, 16 bytes long.
 Data: <&#208;kO&#204;&#188;           > D0 6B 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BCCC4F5D90, 16 bytes long.
 Data: <&#168;kO&#204;&#188;           > A8 6B 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BCCC4EF690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001BCCC4F66A0, 16 bytes long.
 Data: < kO&#204;&#188;           > 80 6B 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BCCC4EF870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001BCCC4F64C0, 16 bytes long.
 Data: <&#200;jO&#204;&#188;           > C8 6A 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BCCC4F5F20, 16 bytes long.
 Data: <&#160;jO&#204;&#188;           > A0 6A 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BCCC4F5E80, 16 bytes long.
 Data: <xjO&#204;&#188;           > 78 6A 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BCCC4F5D40, 16 bytes long.
 Data: <PjO&#204;&#188;           > 50 6A 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BCCC4F5A20, 16 bytes long.
 Data: <(jO&#204;&#188;           > 28 6A 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BCCC4F63D0, 16 bytes long.
 Data: < jO&#204;&#188;           > 00 6A 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BCCC4F6920, 16 bytes long.
 Data: <`PO&#204;&#188;           > 60 50 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BCCC4F5060, 40 bytes long.
 Data: < iO&#204;&#188;   0&#173;!&#206;&#188;   > 20 69 4F CC BC 01 00 00 30 AD 21 CE BC 01 00 00 
{262} normal block at 0x000001BCCC4F5FC0, 16 bytes long.
 Data: <&#224;iO&#204;&#188;           > E0 69 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BCCC4F5F70, 16 bytes long.
 Data: <&#184;iO&#204;&#188;           > B8 69 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BCCC4EFAB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001BCCC4F5C50, 16 bytes long.
 Data: < iO&#204;&#188;           > 90 69 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BCCC4F6990, 992 bytes long.
 Data: <P\O&#204;&#188;   &#176;&#250;N&#204;&#188;   > 50 5C 4F CC BC 01 00 00 B0 FA 4E CC BC 01 00 00 
{94} normal block at 0x000001BCCC4EF630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001BCCC4EDB90, 16 bytes long.
 Data: <&#192;TO&#204;&#188;           > C0 54 4F CC BC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BCCC4F54C0, 40 bytes long.
 Data: < &#219;N&#204;&#188;   0&#246;N&#204;&#188;   > 90 DB 4E CC BC 01 00 00 30 F6 4E CC BC 01 00 00 
{71} normal block at 0x000001BCCC4EDF00, 16 bytes long.
 Data: < &#234;&#221; &#246;           > 80 EA DD 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BCCC4EE220, 16 bytes long.
 Data: <@&#233;&#221; &#246;           > 40 E9 DD 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BCCC4EE1D0, 16 bytes long.
 Data: <&#248;W&#218; &#246;           > F8 57 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BCCC4EDC30, 16 bytes long.
 Data: <&#216;W&#218; &#246;           > D8 57 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BCCC4EDEB0, 16 bytes long.
 Data: <P &#218; &#246;           > 50 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BCCC4EE090, 16 bytes long.
 Data: <0 &#218; &#246;           > 30 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BCCC4EDFA0, 16 bytes long.
 Data: <&#224; &#218; &#246;           > E0 02 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BCCC4EDE10, 16 bytes long.
 Data: <  &#218; &#246;           > 10 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BCCC4ED960, 16 bytes long.
 Data: <p &#218; &#246;           > 70 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BCCC4EDE60, 16 bytes long.
 Data: < &#192;&#216; &#246;           > 18 C0 D8 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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