Task 38666849

Name test_284-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4060_1
Workunit 31609275
Created 25 Oct 2026, 5:04:11 UTC
Sent 25 Oct 2026, 5:15:01 UTC
Report deadline 30 Oct 2026, 5:15:01 UTC
Received 25 Oct 2026, 12:18:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 23 min 2 sec
CPU time 21 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.02 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:56:27 (40872): wrapper (7.9.26016): starting
05:56:27 (40872): 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
05:56:28 (40872): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:56:28 (40872): 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\6\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\6\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
06:18:26 (40872): C:/Windows/system32/cmd.exe exited; CPU time 1299.265625
06:18:26 (40872): 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: 33865949 bytes.
Dumping objects ->
{3835217} normal block at 0x00000201369A54C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000201369A5450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000201369A5370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x00000201369A5300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000201369A5220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x0000020138789870, 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) : {3835129} normal block at 0x000002013699DE40, 8 bytes long.
 Data: <   7    > 00 00 00 37 01 02 00 00 
{3833963} normal block at 0x000002013699D990, 8 bytes long.
 Data: <0I 8    > 30 49 81 38 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000201369A1FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002013698F6A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000201369A5C90, 16 bytes long.
 Data: < m&#154;6            > 98 6D 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000201369A5F60, 16 bytes long.
 Data: <pm&#154;6            > 70 6D 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002013699FBF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000201369A6410, 16 bytes long.
 Data: <Hm&#154;6            > 48 6D 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000201369A61E0, 16 bytes long.
 Data: < m&#154;6            > 20 6D 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000201369A67D0, 16 bytes long.
 Data: <&#248;l&#154;6            > F8 6C 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000201369A65F0, 16 bytes long.
 Data: <&#208;l&#154;6            > D0 6C 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000201369A5060, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000201369A6050, 16 bytes long.
 Data: <   6            > 88 08 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002013699FEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000201369A6550, 16 bytes long.
 Data: <`  6            > 60 08 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000201369A6730, 16 bytes long.
 Data: <8  6            > 38 08 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000201369A6000, 16 bytes long.
 Data: <   6            > 10 08 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000201369A5F10, 16 bytes long.
 Data: <&#232;  6            > E8 07 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000201369A5E20, 16 bytes long.
 Data: <&#192;  6            > C0 07 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000201369A5DD0, 16 bytes long.
 Data: <   6            > 98 07 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002013699FA70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000201369A5D80, 16 bytes long.
 Data: <p  6            > 70 07 99 36 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020136990770, 320 bytes long.
 Data: < ]&#154;6    p&#250; 6    > 80 5D 9A 36 01 02 00 00 70 FA 99 36 01 02 00 00 
{277} normal block at 0x00000201369A62D0, 16 bytes long.
 Data: <&#176;l&#154;6            > B0 6C 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000201369A6140, 16 bytes long.
 Data: < l&#154;6            > 88 6C 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000201369A0310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000201369A6910, 16 bytes long.
 Data: <`l&#154;6            > 60 6C 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002013699FB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000201369A6690, 16 bytes long.
 Data: <&#168;k&#154;6            > A8 6B 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000201369A5C40, 16 bytes long.
 Data: < k&#154;6            > 80 6B 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000201369A5B00, 16 bytes long.
 Data: <Xk&#154;6            > 58 6B 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000201369A66E0, 16 bytes long.
 Data: <0k&#154;6            > 30 6B 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000201369A5BF0, 16 bytes long.
 Data: < k&#154;6            > 08 6B 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000201369A6460, 16 bytes long.
 Data: <&#224;j&#154;6            > E0 6A 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000201369A5D30, 16 bytes long.
 Data: <&#240;O&#154;6            > F0 4F 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000201369A4FF0, 40 bytes long.
 Data: <0]&#154;6    p x8    > 30 5D 9A 36 01 02 00 00 70 98 78 38 01 02 00 00 
{263} normal block at 0x00000201369A5EC0, 16 bytes long.
 Data: <&#192;j&#154;6            > C0 6A 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000201369A6780, 16 bytes long.
 Data: < j&#154;6            > 98 6A 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002013699F650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000201369A6640, 16 bytes long.
 Data: <pj&#154;6            > 70 6A 9A 36 01 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000201369A6A70, 992 bytes long.
 Data: <@f&#154;6    P&#246; 6    > 40 66 9A 36 01 02 00 00 50 F6 99 36 01 02 00 00 
{95} normal block at 0x00000201369A0010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002013699D8A0, 16 bytes long.
 Data: <&#160;&#205; 6            > A0 CD 98 36 01 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002013698CDA0, 40 bytes long.
 Data: <&#160;&#216; 6      &#154;6    > A0 D8 99 36 01 02 00 00 10 00 9A 36 01 02 00 00 
{72} normal block at 0x000002013699E110, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002013699E160, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002013699DDF0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002013699D300, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002013699D8F0, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002013699D580, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002013699DBC0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002013699DFD0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002013699DF30, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002013699D4E0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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