Task 38682100

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5245_0
Workunit 31623734
Created 27 Oct 2026, 6:34:42 UTC
Sent 27 Oct 2026, 6:34:49 UTC
Report deadline 1 Nov 2026, 6:34:49 UTC
Received 27 Oct 2026, 9:38:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 47 min 33 sec
CPU time 45 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.97 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:52:41 (26400): wrapper (7.9.26016): starting
04:52:41 (26400): 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
04:52:43 (26400): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:52:43 (26400): 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\36\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\36\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
05:38:06 (26400): C:/Windows/system32/cmd.exe exited; CPU time 2711.890625
05:38:06 (26400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 46550370 bytes.
Dumping objects ->
{3835225} normal block at 0x000001FA18AD0BC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001FA18AD0F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001FA18AD0CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x000001FA18AD12C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001FA18AD08B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x000001FA18B7B5A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x000001FA18B7C670, 85 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) : {3835136} normal block at 0x000001FA16E86FD0, 8 bytes long.
 Data: <  &#224; &#250;   > 00 00 E0 16 FA 01 00 00 
{3834533} normal block at 0x000001FA18B7CC10, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001FA16E87340, 8 bytes long.
 Data: <`&#135;&#189; &#250;   > 60 87 BD 18 FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001FA16E91010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FA16E75CE0, 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 0x000001FA16E92190, 16 bytes long.
 Data: <H6&#233; &#250;           > 48 36 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FA16E920F0, 16 bytes long.
 Data: < 6&#233; &#250;           > 20 36 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FA16E8D900, 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 0x000001FA16E928C0, 16 bytes long.
 Data: <&#248;5&#233; &#250;           > F8 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FA16E92C80, 16 bytes long.
 Data: <&#208;5&#233; &#250;           > D0 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA16E92C30, 16 bytes long.
 Data: <&#168;5&#233; &#250;           > A8 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FA16E920A0, 16 bytes long.
 Data: < 5&#233; &#250;           > 80 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA16E8C7C0, 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 0x000001FA16E91F60, 16 bytes long.
 Data: <x\&#231; &#250;           > 78 5C E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FA16E8D300, 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 0x000001FA16E92140, 16 bytes long.
 Data: <P\&#231; &#250;           > 50 5C E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA16E92BE0, 16 bytes long.
 Data: <(\&#231; &#250;           > 28 5C E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FA16E92A50, 16 bytes long.
 Data: < \&#231; &#250;           > 00 5C E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FA16E924B0, 16 bytes long.
 Data: <&#216;[&#231; &#250;           > D8 5B E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA16E92910, 16 bytes long.
 Data: <&#176;[&#231; &#250;           > B0 5B E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FA16E92820, 16 bytes long.
 Data: < [&#231; &#250;           > 88 5B E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA16E8D1E0, 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 0x000001FA16E92460, 16 bytes long.
 Data: <`[&#231; &#250;           > 60 5B E7 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FA16E75B60, 320 bytes long.
 Data: <`$&#233; &#250;   &#224;&#209;&#232; &#250;   > 60 24 E9 16 FA 01 00 00 E0 D1 E8 16 FA 01 00 00 
{272} normal block at 0x000001FA16E92E10, 16 bytes long.
 Data: <`5&#233; &#250;           > 60 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FA16E92780, 16 bytes long.
 Data: <85&#233; &#250;           > 38 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA16E8DD80, 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 0x000001FA16E92D20, 16 bytes long.
 Data: < 5&#233; &#250;           > 10 35 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA16E8D540, 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 0x000001FA16E92B40, 16 bytes long.
 Data: <X4&#233; &#250;           > 58 34 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FA16E92870, 16 bytes long.
 Data: <04&#233; &#250;           > 30 34 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA16E92B90, 16 bytes long.
 Data: < 4&#233; &#250;           > 08 34 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FA16E92CD0, 16 bytes long.
 Data: <&#224;3&#233; &#250;           > E0 33 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA16E92550, 16 bytes long.
 Data: <&#184;3&#233; &#250;           > B8 33 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FA16E92AF0, 16 bytes long.
 Data: < 3&#233; &#250;           > 90 33 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FA16E92D70, 16 bytes long.
 Data: <&#176;&#203;&#232; &#250;           > B0 CB E8 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FA16E8CBB0, 40 bytes long.
 Data: <p-&#233; &#250;   &#160;&#181;&#183; &#250;   > 70 2D E9 16 FA 01 00 00 A0 B5 B7 18 FA 01 00 00 
{258} normal block at 0x000001FA16E927D0, 16 bytes long.
 Data: <p3&#233; &#250;           > 70 33 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FA16E92410, 16 bytes long.
 Data: <H3&#233; &#250;           > 48 33 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FA16E8D180, 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 0x000001FA16E92DC0, 16 bytes long.
 Data: < 3&#233; &#250;           > 20 33 E9 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FA16E93320, 992 bytes long.
 Data: <&#192;-&#233; &#250;    &#209;&#232; &#250;   > C0 2D E9 16 FA 01 00 00 80 D1 E8 16 FA 01 00 00 
{90} normal block at 0x000001FA16E8CF40, 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 0x000001FA16E867B0, 16 bytes long.
 Data: <&#224;&#198;&#232; &#250;           > E0 C6 E8 16 FA 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001FA16E8C6E0, 40 bytes long.
 Data: <&#176;g&#232; &#250;   @&#207;&#232; &#250;   > B0 67 E8 16 FA 01 00 00 40 CF E8 16 FA 01 00 00 
{67} normal block at 0x000001FA16E86F80, 16 bytes long.
 Data: < &#234;&#217;&#218;&#247;           > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FA16E868A0, 16 bytes long.
 Data: <@&#233;&#217;&#218;&#247;           > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FA16E86580, 16 bytes long.
 Data: <&#248;W&#214;&#218;&#247;           > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FA16E87160, 16 bytes long.
 Data: <&#216;W&#214;&#218;&#247;           > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA16E87110, 16 bytes long.
 Data: <P &#214;&#218;&#247;           > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA16E86BC0, 16 bytes long.
 Data: <0 &#214;&#218;&#247;           > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FA16E86CB0, 16 bytes long.
 Data: <&#224; &#214;&#218;&#247;           > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FA16E86620, 16 bytes long.
 Data: <  &#214;&#218;&#247;           > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FA16E865D0, 16 bytes long.
 Data: <p &#214;&#218;&#247;           > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FA16E87070, 16 bytes long.
 Data: < &#192;&#212;&#218;&#247;           > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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