Task 38681290

Name test_14-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4642_0
Workunit 31622962
Created 27 Oct 2026, 3:23:59 UTC
Sent 27 Oct 2026, 3:24:03 UTC
Report deadline 1 Nov 2026, 3:24:03 UTC
Received 27 Oct 2026, 4:20:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 18 min 11 sec
CPU time 17 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.93 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:02:15 (28008): wrapper (7.9.26016): starting
23:02:15 (28008): 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
23:02:16 (28008): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:02:16 (28008): 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
23:20:04 (28008): C:/Windows/system32/cmd.exe exited; CPU time 1033.484375
23:20:04 (28008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 23082369 bytes.
Dumping objects ->
{3835289} normal block at 0x000002B0100A4B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000002B0100A4AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002B0100A49D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x000002B0100A4490, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000002B0100A4960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x000002B011D7A490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000002B0100FD140, 135 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) : {3835200} normal block at 0x000002B01009F590, 8 bytes long.
 Data: <    &#176;   > 00 00 03 10 B0 02 00 00 
{3834577} normal block at 0x000002B0100FDCA0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002B0100A00D0, 8 bytes long.
 Data: < J&#210; &#176;   > 10 4A D2 11 B0 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002B0100A0A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B010095CE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002B0100A5970, 16 bytes long.
 Data: <&#184;T  &#176;           > B8 54 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B0100A6050, 16 bytes long.
 Data: < T  &#176;           > 90 54 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B01009E9C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002B0100A6000, 16 bytes long.
 Data: <hT  &#176;           > 68 54 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B0100A61E0, 16 bytes long.
 Data: <@T  &#176;           > 40 54 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B0100A5C90, 16 bytes long.
 Data: < T  &#176;           > 18 54 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B0100A60A0, 16 bytes long.
 Data: <&#240;S  &#176;           > F0 53 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B0100A4570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002B0100A5920, 16 bytes long.
 Data: <&#200;&#142;	 &#176;           > C8 8E 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B01009E780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002B0100A5BA0, 16 bytes long.
 Data: <&#160;&#142;	 &#176;           > A0 8E 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B0100A6320, 16 bytes long.
 Data: <x&#142;	 &#176;           > 78 8E 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B0100A5BF0, 16 bytes long.
 Data: <P&#142;	 &#176;           > 50 8E 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B0100A62D0, 16 bytes long.
 Data: <(&#142;	 &#176;           > 28 8E 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B0100A6190, 16 bytes long.
 Data: < &#142;	 &#176;           > 00 8E 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B0100A5790, 16 bytes long.
 Data: <&#216; 	 &#176;           > D8 8D 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B01009EBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002B0100A58D0, 16 bytes long.
 Data: <&#176; 	 &#176;           > B0 8D 09 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B010098DB0, 320 bytes long.
 Data: <&#208;X  &#176;   &#160;&#235;	 &#176;   > D0 58 0A 10 B0 02 00 00 A0 EB 09 10 B0 02 00 00 
{273} normal block at 0x000002B0100A5D30, 16 bytes long.
 Data: <&#208;S  &#176;           > D0 53 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B0100A5880, 16 bytes long.
 Data: <&#168;S  &#176;           > A8 53 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B01009EEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002B0100A6140, 16 bytes long.
 Data: < S  &#176;           > 80 53 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B01009EF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002B0100A5E20, 16 bytes long.
 Data: <&#200;R  &#176;           > C8 52 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B0100A6550, 16 bytes long.
 Data: <&#160;R  &#176;           > A0 52 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B0100A5DD0, 16 bytes long.
 Data: <xR  &#176;           > 78 52 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B0100A5FB0, 16 bytes long.
 Data: <PR  &#176;           > 50 52 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B01009FC70, 16 bytes long.
 Data: <(R  &#176;           > 28 52 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B01009FBD0, 16 bytes long.
 Data: < R  &#176;           > 00 52 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B01009FB80, 16 bytes long.
 Data: < D  &#176;           > 20 44 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B0100A4420, 40 bytes long.
 Data: < &#251;	 &#176;    &#164;&#215; &#176;   > 80 FB 09 10 B0 02 00 00 90 A4 D7 11 B0 02 00 00 
{259} normal block at 0x000002B0100A0120, 16 bytes long.
 Data: <&#224;Q  &#176;           > E0 51 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B01009F720, 16 bytes long.
 Data: <&#184;Q  &#176;           > B8 51 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B01009ED80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002B01009F5E0, 16 bytes long.
 Data: < Q  &#176;           > 90 51 0A 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B0100A5190, 992 bytes long.
 Data: <&#224;&#245;	 &#176;    &#237;	 &#176;   > E0 F5 09 10 B0 02 00 00 80 ED 09 10 B0 02 00 00 
{91} normal block at 0x000002B01009EC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002B0100A0210, 16 bytes long.
 Data: < &#227;  &#176;           > 90 E3 08 10 B0 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002B01008E390, 40 bytes long.
 Data: <    &#176;    &#236;	 &#176;   > 10 02 0A 10 B0 02 00 00 00 EC 09 10 B0 02 00 00 
{68} normal block at 0x000002B01009FD60, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B01009FAE0, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B01009F9F0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B0100A0170, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B01009FF40, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B01009F9A0, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B01009F8B0, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B01009FF90, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B01009F630, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B01009FFE0, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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