Task 38666636

Name test_905-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0235_1
Workunit 31609247
Created 25 Oct 2026, 4:10:32 UTC
Sent 25 Oct 2026, 4:32:18 UTC
Report deadline 30 Oct 2026, 4:32:18 UTC
Received 25 Oct 2026, 10:43:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 22 min 6 sec
CPU time 20 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.46 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:20:13 (17744): wrapper (7.9.26016): starting
11:20:13 (17744): 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
11:20:14 (17744): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:20:14 (17744): 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
11:41:21 (17744): C:/Windows/system32/cmd.exe exited; CPU time 1245.500000
11:41:21 (17744): 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: 20500035 bytes.
Dumping objects ->
{3835498} normal block at 0x000002AA117A71B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000002AA117A77D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000002AA117A7530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x000002AA117A75A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x000002AA117A74C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x000002AA133F70B0, 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) : {3835410} normal block at 0x000002AA1179DD60, 8 bytes long.
 Data: <  &#207; &#170;   > 00 00 CF 11 AA 02 00 00 
{3833963} normal block at 0x000002AA1179D900, 8 bytes long.
 Data: <&#224;JE &#170;   > E0 4A 45 13 AA 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002AA117A1710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002AA1178F580, 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 0x000002AA117A6A60, 16 bytes long.
 Data: < oz &#170;           > 88 6F 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AA117A6B00, 16 bytes long.
 Data: <`oz &#170;           > 60 6F 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AA1179FBC0, 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 0x000002AA117A6650, 16 bytes long.
 Data: <8oz &#170;           > 38 6F 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AA117A6560, 16 bytes long.
 Data: < oz &#170;           > 10 6F 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AA117A6510, 16 bytes long.
 Data: <&#232;nz &#170;           > E8 6E 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AA117A6600, 16 bytes long.
 Data: <&#192;nz &#170;           > C0 6E 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AA117A76F0, 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 0x000002AA117A5E80, 16 bytes long.
 Data: <&#168; y &#170;           > A8 04 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AA1179F860, 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 0x000002AA117A6790, 16 bytes long.
 Data: <  y &#170;           > 80 04 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AA117A66F0, 16 bytes long.
 Data: <X y &#170;           > 58 04 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AA117A6970, 16 bytes long.
 Data: <0 y &#170;           > 30 04 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AA117A64C0, 16 bytes long.
 Data: <  y &#170;           > 08 04 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AA117A5E30, 16 bytes long.
 Data: <&#224; y &#170;           > E0 03 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AA117A6470, 16 bytes long.
 Data: <&#184; y &#170;           > B8 03 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AA1179FAA0, 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 0x000002AA117A5FC0, 16 bytes long.
 Data: <  y &#170;           > 90 03 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AA11790390, 320 bytes long.
 Data: <&#192;_z &#170;   &#160;&#250;y &#170;   > C0 5F 7A 11 AA 02 00 00 A0 FA 79 11 AA 02 00 00 
{277} normal block at 0x000002AA117A6AB0, 16 bytes long.
 Data: <&#160;nz &#170;           > A0 6E 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AA117A6420, 16 bytes long.
 Data: <xnz &#170;           > 78 6E 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AA1179F7A0, 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 0x000002AA117A6920, 16 bytes long.
 Data: <Pnz &#170;           > 50 6E 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AA1179FB00, 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 0x000002AA117A5F70, 16 bytes long.
 Data: < mz &#170;           > 98 6D 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AA117A5DE0, 16 bytes long.
 Data: <pmz &#170;           > 70 6D 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AA117A68D0, 16 bytes long.
 Data: <Hmz &#170;           > 48 6D 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AA117A6BA0, 16 bytes long.
 Data: < mz &#170;           > 20 6D 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AA117A62E0, 16 bytes long.
 Data: <&#248;lz &#170;           > F8 6C 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AA117A6380, 16 bytes long.
 Data: <&#208;lz &#170;           > D0 6C 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AA117A6100, 16 bytes long.
 Data: <&#176;&#226;x &#170;           > B0 E2 78 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AA1178E2B0, 40 bytes long.
 Data: < az &#170;   &#176;p? &#170;   > 00 61 7A 11 AA 02 00 00 B0 70 3F 13 AA 02 00 00 
{263} normal block at 0x000002AA117A5CA0, 16 bytes long.
 Data: <&#176;lz &#170;           > B0 6C 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AA117A6330, 16 bytes long.
 Data: < lz &#170;           > 88 6C 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AA1179F0E0, 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 0x000002AA117A65B0, 16 bytes long.
 Data: <`lz &#170;           > 60 6C 7A 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AA117A6C60, 992 bytes long.
 Data: <&#176;ez &#170;   &#224;&#240;y &#170;   > B0 65 7A 11 AA 02 00 00 E0 F0 79 11 AA 02 00 00 
{95} normal block at 0x000002AA1179F680, 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 0x000002AA1179D680, 16 bytes long.
 Data: <&#208; y &#170;           > D0 00 79 11 AA 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002AA117900D0, 40 bytes long.
 Data: < &#214;y &#170;    &#246;y &#170;   > 80 D6 79 11 AA 02 00 00 80 F6 79 11 AA 02 00 00 
{72} normal block at 0x000002AA1179DAE0, 16 bytes long.
 Data: < &#234;r&#176;&#247;           > 80 EA 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002AA1179D950, 16 bytes long.
 Data: <@&#233;r&#176;&#247;           > 40 E9 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AA1179DC70, 16 bytes long.
 Data: <&#248;Wo&#176;&#247;           > F8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AA1179D180, 16 bytes long.
 Data: <&#216;Wo&#176;&#247;           > D8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AA1179D4F0, 16 bytes long.
 Data: <P o&#176;&#247;           > 50 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AA1179DBD0, 16 bytes long.
 Data: <0 o&#176;&#247;           > 30 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AA1179D310, 16 bytes long.
 Data: <&#224; o&#176;&#247;           > E0 02 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AA1179DD10, 16 bytes long.
 Data: <  o&#176;&#247;           > 10 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AA1179DC20, 16 bytes long.
 Data: <p o&#176;&#247;           > 70 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AA1179DF40, 16 bytes long.
 Data: < &#192;m&#176;&#247;           > 18 C0 6D B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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