Task 38679397

Name test_884-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0240_0
Workunit 31621173
Created 26 Oct 2026, 20:24:29 UTC
Sent 26 Oct 2026, 20:24:32 UTC
Report deadline 31 Oct 2026, 20:24:32 UTC
Received 26 Oct 2026, 20:55:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617663
Run time 30 min 3 sec
CPU time 28 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.07 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:25:28 (31852): wrapper (7.9.26016): starting
15:25:28 (31852): 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
15:25:29 (31852): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:25:29 (31852): 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 'F:\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 'F:\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
15:55:35 (31852): C:/Windows/system32/cmd.exe exited; CPU time 1707.156250
15:55:35 (31852): 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: 35172985 bytes.
Dumping objects ->
{3835194} normal block at 0x00000118EE96A470, 48 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000118ECD55B30, 48 bytes long.
 Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000118ECD55A50, 48 bytes long.
 Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x00000118ECD55900, 48 bytes long.
 Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x00000118ECD556D0, 48 bytes long.
 Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x00000118EE977D80, 64 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x00000118ECD4F7E0, 8 bytes long.
 Data: <   &#237;    > 00 00 11 ED 18 01 00 00 
{3833959} normal block at 0x00000118ECD4F100, 8 bytes long.
 Data: < &#138;&#150;&#238;    > 00 8A 96 EE 18 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000118ECD46FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000118ECD48410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000118ECD570E0, 16 bytes long.
 Data: <He&#213;&#236;            > 48 65 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000118ECD57090, 16 bytes long.
 Data: < e&#213;&#236;            > 20 65 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000118ECD50E80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000118ECD573B0, 16 bytes long.
 Data: <&#248;d&#213;&#236;            > F8 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000118ECD574A0, 16 bytes long.
 Data: <&#208;d&#213;&#236;            > D0 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000118ECD569B0, 16 bytes long.
 Data: <&#168;d&#213;&#236;            > A8 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000118ECD566E0, 16 bytes long.
 Data: < d&#213;&#236;            > 80 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000118ECD55740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000118ECD57180, 16 bytes long.
 Data: <h&#206;&#211;&#236;            > 68 CE D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000118ECD50E20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000118ECD56DC0, 16 bytes long.
 Data: <@&#206;&#211;&#236;            > 40 CE D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000118ECD57220, 16 bytes long.
 Data: < &#206;&#211;&#236;            > 18 CE D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000118ECD575E0, 16 bytes long.
 Data: <&#240;&#205;&#211;&#236;            > F0 CD D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000118ECD56FF0, 16 bytes long.
 Data: <&#200;&#205;&#211;&#236;            > C8 CD D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000118ECD57130, 16 bytes long.
 Data: <&#160;&#205;&#211;&#236;            > A0 CD D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000118ECD56C30, 16 bytes long.
 Data: <x&#205;&#211;&#236;            > 78 CD D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000118ECD50AC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000118ECD56960, 16 bytes long.
 Data: <P&#205;&#211;&#236;            > 50 CD D3 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000118ECD3CD50, 320 bytes long.
 Data: <`i&#213;&#236;    &#192; &#213;&#236;    > 60 69 D5 EC 18 01 00 00 C0 0A D5 EC 18 01 00 00 
{275} normal block at 0x00000118ECD56CD0, 16 bytes long.
 Data: <`d&#213;&#236;            > 60 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000118ECD56F50, 16 bytes long.
 Data: <8d&#213;&#236;            > 38 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000118ECD51660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000118ECD56910, 16 bytes long.
 Data: < d&#213;&#236;            > 10 64 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000118ECD517E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000118ECD56B90, 16 bytes long.
 Data: <Xc&#213;&#236;            > 58 63 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000118ECD56AA0, 16 bytes long.
 Data: <0c&#213;&#236;            > 30 63 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000118ECD57360, 16 bytes long.
 Data: < c&#213;&#236;            > 08 63 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000118ECD56F00, 16 bytes long.
 Data: <&#224;b&#213;&#236;            > E0 62 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000118ECD56730, 16 bytes long.
 Data: <&#184;b&#213;&#236;            > B8 62 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000118ECD4F790, 16 bytes long.
 Data: < b&#213;&#236;            > 90 62 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000118ECD4F600, 16 bytes long.
 Data: < U&#213;&#236;            > 10 55 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000118ECD55510, 40 bytes long.
 Data: < &#246;&#212;&#236;     }&#151;&#238;    > 00 F6 D4 EC 18 01 00 00 80 7D 97 EE 18 01 00 00 
{261} normal block at 0x00000118ECD4F510, 16 bytes long.
 Data: <pb&#213;&#236;            > 70 62 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000118ECD4F240, 16 bytes long.
 Data: <Hb&#213;&#236;            > 48 62 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000118ECD51540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000118ECD4EFC0, 16 bytes long.
 Data: < b&#213;&#236;            > 20 62 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000118ECD56220, 992 bytes long.
 Data: <&#192;&#239;&#212;&#236;    @ &#213;&#236;    > C0 EF D4 EC 18 01 00 00 40 15 D5 EC 18 01 00 00 
{93} normal block at 0x00000118ECD50BE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000118ECD4EE80, 16 bytes long.
 Data: < X&#213;&#236;            > 20 58 D5 EC 18 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000118ECD55820, 40 bytes long.
 Data: < &#238;&#212;&#236;    &#224; &#213;&#236;    > 80 EE D4 EC 18 01 00 00 E0 0B D5 EC 18 01 00 00 
{70} normal block at 0x00000118ECD4F650, 16 bytes long.
 Data: < &#234;nz&#246;           > 80 EA 6E 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000118ECD4EB10, 16 bytes long.
 Data: <@&#233;nz&#246;           > 40 E9 6E 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000118ECD4ED90, 16 bytes long.
 Data: <&#248;Wkz&#246;           > F8 57 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000118ECD4F740, 16 bytes long.
 Data: <&#216;Wkz&#246;           > D8 57 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000118ECD4F0B0, 16 bytes long.
 Data: <P kz&#246;           > 50 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000118ECD4F6F0, 16 bytes long.
 Data: <0 kz&#246;           > 30 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000118ECD4ED40, 16 bytes long.
 Data: <&#224; kz&#246;           > E0 02 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000118ECD4F2E0, 16 bytes long.
 Data: <  kz&#246;           > 10 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000118ECD4EC50, 16 bytes long.
 Data: <p kz&#246;           > 70 04 6B 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000118ECD4EAC0, 16 bytes long.
 Data: < &#192;iz&#246;           > 18 C0 69 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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