Task 38699508

Name test_302-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8270_0
Workunit 31639902
Created 4 Nov 2026, 12:35:04 UTC
Sent 4 Nov 2026, 12:35:08 UTC
Report deadline 9 Nov 2026, 12:35:08 UTC
Received 4 Nov 2026, 13:30:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 54 min
CPU time 50 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.75 MB
Peak swap size 3.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:37:19 (7740): wrapper (7.9.26016): starting
13:37:19 (7740): 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
13:37:22 (7740): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:37:22 (7740): 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\2\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\2\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
14:29:26 (7740): C:/Windows/system32/cmd.exe exited; CPU time 3032.234375
14:29:26 (7740): 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: 35796053 bytes.
Dumping objects ->
{3835420} normal block at 0x000001EC86EC6330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x000001EC86EC55A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x000001EC86EC6170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x000001EC86EC5F40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x000001EC851CB6F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x000001EC86DDB050, 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) : {3835332} normal block at 0x000001EC851C6830, 8 bytes long.
 Data: <   &#133;&#236;   > 00 00 1A 85 EC 01 00 00 
{3833953} normal block at 0x000001EC851C6B50, 8 bytes long.
 Data: <&#224;G&#236;&#134;&#236;   > E0 47 EC 86 EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001EC851D1060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EC851BAD90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001EC851D29B0, 16 bytes long.
 Data: < 6 &#133;&#236;           > 98 36 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC851D25A0, 16 bytes long.
 Data: <p6 &#133;&#236;           > 70 36 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EC851CCAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001EC851D2CD0, 16 bytes long.
 Data: <H6 &#133;&#236;           > 48 36 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC851D2910, 16 bytes long.
 Data: < 6 &#133;&#236;           > 20 36 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EC851D2230, 16 bytes long.
 Data: <&#248;5 &#133;&#236;           > F8 35 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EC851D2550, 16 bytes long.
 Data: <&#208;5 &#133;&#236;           > D0 35 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EC851CB140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001EC851D2F00, 16 bytes long.
 Data: < &#196; &#133;&#236;           > 98 C4 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EC851CCCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001EC851D2460, 16 bytes long.
 Data: <p&#196; &#133;&#236;           > 70 C4 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC851D2370, 16 bytes long.
 Data: <H&#196; &#133;&#236;           > 48 C4 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EC851D2690, 16 bytes long.
 Data: < &#196; &#133;&#236;           > 20 C4 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC851D2D20, 16 bytes long.
 Data: <&#248;&#195; &#133;&#236;           > F8 C3 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EC851D2820, 16 bytes long.
 Data: <&#208;&#195; &#133;&#236;           > D0 C3 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC851D2640, 16 bytes long.
 Data: <&#168;&#195; &#133;&#236;           > A8 C3 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EC851CC810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001EC851D2B40, 16 bytes long.
 Data: < &#195; &#133;&#236;           > 80 C3 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EC851CC380, 320 bytes long.
 Data: <@+ &#133;&#236;    &#200; &#133;&#236;   > 40 2B 1D 85 EC 01 00 00 10 C8 1C 85 EC 01 00 00 
{272} normal block at 0x000001EC851D21E0, 16 bytes long.
 Data: <&#176;5 &#133;&#236;           > B0 35 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC851D2280, 16 bytes long.
 Data: < 5 &#133;&#236;           > 88 35 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EC851CD2F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001EC851D2140, 16 bytes long.
 Data: <`5 &#133;&#236;           > 60 35 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EC851CC930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001EC851D2960, 16 bytes long.
 Data: <&#168;4 &#133;&#236;           > A8 34 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EC851D20F0, 16 bytes long.
 Data: < 4 &#133;&#236;           > 80 34 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC851D27D0, 16 bytes long.
 Data: <X4 &#133;&#236;           > 58 34 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC851D2C80, 16 bytes long.
 Data: <04 &#133;&#236;           > 30 34 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EC851D2AA0, 16 bytes long.
 Data: < 4 &#133;&#236;           > 08 34 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EC851D2320, 16 bytes long.
 Data: <&#224;3 &#133;&#236;           > E0 33 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EC851D2780, 16 bytes long.
 Data: <&#208;&#176; &#133;&#236;           > D0 B0 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EC851CB0D0, 40 bytes long.
 Data: < ' &#133;&#236;   P&#176;&#221;&#134;&#236;   > 80 27 1D 85 EC 01 00 00 50 B0 DD 86 EC 01 00 00 
{258} normal block at 0x000001EC851D2190, 16 bytes long.
 Data: <&#192;3 &#133;&#236;           > C0 33 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EC851D26E0, 16 bytes long.
 Data: < 3 &#133;&#236;           > 98 33 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EC851CD410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001EC851D2500, 16 bytes long.
 Data: <p3 &#133;&#236;           > 70 33 1D 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001EC851D3370, 992 bytes long.
 Data: < % &#133;&#236;    &#212; &#133;&#236;   > 00 25 1D 85 EC 01 00 00 10 D4 1C 85 EC 01 00 00 
{90} normal block at 0x000001EC851CC8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001EC851C64C0, 16 bytes long.
 Data: <`&#183; &#133;&#236;           > 60 B7 1C 85 EC 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001EC851CB760, 40 bytes long.
 Data: <&#192;d &#133;&#236;   &#208;&#200; &#133;&#236;   > C0 64 1C 85 EC 01 00 00 D0 C8 1C 85 EC 01 00 00 
{67} normal block at 0x000001EC851C6FB0, 16 bytes long.
 Data: < &#234;&#154;B&#246;           > 80 EA 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC851C6F60, 16 bytes long.
 Data: <@&#233;&#154;B&#246;           > 40 E9 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EC851C6F10, 16 bytes long.
 Data: <&#248;W&#151;B&#246;           > F8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EC851C70A0, 16 bytes long.
 Data: <&#216;W&#151;B&#246;           > D8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EC851C6880, 16 bytes long.
 Data: <P &#151;B&#246;           > 50 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EC851C68D0, 16 bytes long.
 Data: <0 &#151;B&#246;           > 30 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EC851C6EC0, 16 bytes long.
 Data: <&#224; &#151;B&#246;           > E0 02 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EC851C7050, 16 bytes long.
 Data: <  &#151;B&#246;           > 10 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EC851C6970, 16 bytes long.
 Data: <p &#151;B&#246;           > 70 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EC851C7280, 16 bytes long.
 Data: < &#192;&#149;B&#246;           > 18 C0 95 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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