Task 38687458

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND8511_0
Workunit 31628848
Created 28 Oct 2026, 7:55:20 UTC
Sent 28 Oct 2026, 7:55:26 UTC
Report deadline 2 Nov 2026, 7:55:26 UTC
Received 28 Oct 2026, 8:22:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 26 min 6 sec
CPU time 22 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.14 MB
Peak swap size 10.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:57:32 (26508): wrapper (7.9.26016): starting
08:57:32 (26508): 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
08:57:33 (26508): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:57:33 (26508): 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\10\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\10\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
09:21:55 (26508): C:/Windows/system32/cmd.exe exited; CPU time 1324.890625
09:21:55 (26508): 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: 29169613 bytes.
Dumping objects ->
{3835202} normal block at 0x0000020D138ED260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000020D138ED7A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000020D138ED0A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000020D138ED960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000020D11B14E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000020D13934610, 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) : {3835114} normal block at 0x0000020D11B0FAE0, 8 bytes long.
 Data: <  &#250;     > 00 00 FA 11 0D 02 00 00 
{3833965} normal block at 0x0000020D11B0F900, 8 bytes long.
 Data: < >      > 10 3E 99 13 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020D11B11C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020D11B065C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000020D11B165F0, 16 bytes long.
 Data: <&#248;Z&#177;             > F8 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020D11B164B0, 16 bytes long.
 Data: <&#208;Z&#177;             > D0 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020D11B0E1D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000020D11B16000, 16 bytes long.
 Data: <&#168;Z&#177;             > A8 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020D11B16460, 16 bytes long.
 Data: < Z&#177;             > 80 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D11B167D0, 16 bytes long.
 Data: <XZ&#177;             > 58 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020D11B16AF0, 16 bytes long.
 Data: <0Z&#177;             > 30 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D11B14F90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000020D11B16550, 16 bytes long.
 Data: < &#245;&#175;             > 98 F5 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020D11B0E2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000020D11B163C0, 16 bytes long.
 Data: <p&#245;&#175;             > 70 F5 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020D11B16500, 16 bytes long.
 Data: <H&#245;&#175;             > 48 F5 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D11B15C90, 16 bytes long.
 Data: < &#245;&#175;             > 20 F5 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020D11B16370, 16 bytes long.
 Data: <&#248;&#244;&#175;             > F8 F4 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D11B16B40, 16 bytes long.
 Data: <&#208;&#244;&#175;             > D0 F4 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D11B160F0, 16 bytes long.
 Data: <&#168;&#244;&#175;             > A8 F4 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020D11B0D7B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000020D11B165A0, 16 bytes long.
 Data: < &#244;&#175;             > 80 F4 AF 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D11AFF480, 320 bytes long.
 Data: <&#160;e&#177;     &#176;&#215;&#176;     > A0 65 B1 11 0D 02 00 00 B0 D7 B0 11 0D 02 00 00 
{278} normal block at 0x0000020D11B15CE0, 16 bytes long.
 Data: < Z&#177;             > 10 5A B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D11B15FB0, 16 bytes long.
 Data: <&#232;Y&#177;             > E8 59 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D11B0DBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000020D11B16780, 16 bytes long.
 Data: <&#192;Y&#177;             > C0 59 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020D11B0DA50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000020D11B15E70, 16 bytes long.
 Data: < Y&#177;             > 08 59 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D11B15F10, 16 bytes long.
 Data: <&#224;X&#177;             > E0 58 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020D11B16640, 16 bytes long.
 Data: <&#184;X&#177;             > B8 58 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D11B160A0, 16 bytes long.
 Data: < X&#177;             > 90 58 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020D11B16050, 16 bytes long.
 Data: <hX&#177;             > 68 58 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D11B0F130, 16 bytes long.
 Data: <@X&#177;             > 40 58 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D11B0F0E0, 16 bytes long.
 Data: <pP&#177;             > 70 50 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020D11B15070, 40 bytes long.
 Data: <&#224;&#240;&#176;      F&#147;     > E0 F0 B0 11 0D 02 00 00 10 46 93 13 0D 02 00 00 
{264} normal block at 0x0000020D11B0F4A0, 16 bytes long.
 Data: < X&#177;             > 20 58 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020D11B0EE10, 16 bytes long.
 Data: <&#248;W&#177;             > F8 57 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020D11B0DC90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000020D11B0EF50, 16 bytes long.
 Data: <&#208;W&#177;             > D0 57 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020D11B157D0, 992 bytes long.
 Data: <P&#239;&#176;      &#220;&#176;     > 50 EF B0 11 0D 02 00 00 90 DC B0 11 0D 02 00 00 
{96} normal block at 0x0000020D11B0DE10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000020D11B0EFA0, 16 bytes long.
 Data: <&#224;P&#177;             > E0 50 B1 11 0D 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020D11B150E0, 40 bytes long.
 Data: <&#160;&#239;&#176;      &#222;&#176;     > A0 EF B0 11 0D 02 00 00 10 DE B0 11 0D 02 00 00 
{73} normal block at 0x0000020D11B0F770, 16 bytes long.
 Data: < &#234;&#161;9&#247;           > 80 EA A1 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020D11B0EE60, 16 bytes long.
 Data: <@&#233;&#161;9&#247;           > 40 E9 A1 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020D11B0F6D0, 16 bytes long.
 Data: <&#248;W&#158;9&#247;           > F8 57 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020D11B0F630, 16 bytes long.
 Data: <&#216;W&#158;9&#247;           > D8 57 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020D11B0EF00, 16 bytes long.
 Data: <P &#158;9&#247;           > 50 04 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020D11B0F360, 16 bytes long.
 Data: <0 &#158;9&#247;           > 30 04 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020D11B0FA40, 16 bytes long.
 Data: <&#224; &#158;9&#247;           > E0 02 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020D11B0F310, 16 bytes long.
 Data: <  &#158;9&#247;           > 10 04 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020D11B0F720, 16 bytes long.
 Data: <p &#158;9&#247;           > 70 04 9E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020D11B0EEB0, 16 bytes long.
 Data: < &#192;&#156;9&#247;           > 18 C0 9C 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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