Task 38666097

Name test_957-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4714_0
Workunit 31609124
Created 25 Oct 2026, 2:04:05 UTC
Sent 25 Oct 2026, 4:13:38 UTC
Report deadline 30 Oct 2026, 4:13:38 UTC
Received 25 Oct 2026, 7:15:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 2 hours 42 min 29 sec
CPU time 2 hours 42 min 29 sec
Validate state Valid
Credit 600,000.00
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 758.98 MB
Peak swap size 10.04 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:32:40 (5784): wrapper (7.9.26016): starting
05:32:40 (5784): 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
05:32:41 (5784): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:32:41 (5784): 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
08:12:48 (5784): C:/Windows/system32/cmd.exe exited; CPU time 9749.062500
08:12:48 (5784): 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: 149353373 bytes.
Dumping objects ->
{3835498} normal block at 0x0000021898EF6510, 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 0x0000021898EF6900, 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 0x0000021898EF6B30, 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 0x0000021898EF64A0, 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 0x0000021898EF67B0, 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 0x000002189ACB5C40, 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 0x0000021898EEE370, 8 bytes long.
 Data: <  W     > 00 00 57 99 18 02 00 00 
{3833963} normal block at 0x0000021898EEDBA0, 8 bytes long.
 Data: <`E&#209;&#154;    > 60 45 D1 9A 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021898EF1C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021898EE6800, 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 0x0000021898EF5350, 16 bytes long.
 Data: <Xc&#239;             > 58 63 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021898EF54E0, 16 bytes long.
 Data: <0c&#239;             > 30 63 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021898EEF460, 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 0x0000021898EF5990, 16 bytes long.
 Data: < c&#239;             > 08 63 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021898EF5940, 16 bytes long.
 Data: <&#224;b&#239;             > E0 62 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021898EF4E00, 16 bytes long.
 Data: <&#184;b&#239;             > B8 62 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021898EF4CC0, 16 bytes long.
 Data: < b&#239;             > 90 62 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021898EF6A50, 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 0x0000021898EF5BC0, 16 bytes long.
 Data: <&#168;&#245;&#237;             > A8 F5 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021898EEF0A0, 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 0x0000021898EF5670, 16 bytes long.
 Data: < &#245;&#237;             > 80 F5 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021898EF5B70, 16 bytes long.
 Data: <X&#245;&#237;             > 58 F5 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021898EF58F0, 16 bytes long.
 Data: <0&#245;&#237;             > 30 F5 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021898EF5210, 16 bytes long.
 Data: < &#245;&#237;             > 08 F5 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021898EF5080, 16 bytes long.
 Data: <&#224;&#244;&#237;             > E0 F4 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021898EF5850, 16 bytes long.
 Data: <&#184;&#244;&#237;             > B8 F4 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021898EEF940, 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 0x0000021898EF5170, 16 bytes long.
 Data: < &#244;&#237;             > 90 F4 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021898EDF490, 320 bytes long.
 Data: <pQ&#239;     @&#249;&#238;     > 70 51 EF 98 18 02 00 00 40 F9 EE 98 18 02 00 00 
{277} normal block at 0x0000021898EF5030, 16 bytes long.
 Data: <pb&#239;             > 70 62 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021898EF5490, 16 bytes long.
 Data: <Hb&#239;             > 48 62 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021898EEFA60, 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 0x0000021898EF57B0, 16 bytes long.
 Data: < b&#239;             > 20 62 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021898EEF280, 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 0x0000021898EF5800, 16 bytes long.
 Data: <ha&#239;             > 68 61 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021898EF53F0, 16 bytes long.
 Data: <@a&#239;             > 40 61 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021898EF5760, 16 bytes long.
 Data: < a&#239;             > 18 61 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021898EF5300, 16 bytes long.
 Data: <&#240;`&#239;             > F0 60 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021898EF5710, 16 bytes long.
 Data: <&#200;`&#239;             > C8 60 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021898EF5120, 16 bytes long.
 Data: <&#160;`&#239;             > A0 60 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021898EF50D0, 16 bytes long.
 Data: < &#241;&#237;             > 90 F1 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021898EDF190, 40 bytes long.
 Data: <&#208;P&#239;     @\&#203;&#154;    > D0 50 EF 98 18 02 00 00 40 5C CB 9A 18 02 00 00 
{263} normal block at 0x0000021898EF4DB0, 16 bytes long.
 Data: < `&#239;             > 80 60 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021898EF4FE0, 16 bytes long.
 Data: <X`&#239;             > 58 60 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021898EEFB20, 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 0x0000021898EF5AD0, 16 bytes long.
 Data: <0`&#239;             > 30 60 EF 98 18 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021898EF6030, 992 bytes long.
 Data: <&#208;Z&#239;      &#251;&#238;     > D0 5A EF 98 18 02 00 00 20 FB EE 98 18 02 00 00 
{95} normal block at 0x0000021898EEF1C0, 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 0x0000021898EEDB50, 16 bytes long.
 Data: <P&#201;&#237;             > 50 C9 ED 98 18 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021898EDC950, 40 bytes long.
 Data: <P&#219;&#238;     &#192;&#241;&#238;     > 50 DB EE 98 18 02 00 00 C0 F1 EE 98 18 02 00 00 
{72} normal block at 0x0000021898EED7E0, 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 0x0000021898EED5B0, 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 0x0000021898EED9C0, 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 0x0000021898EED600, 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 0x0000021898EEE0F0, 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 0x0000021898EED560, 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 0x0000021898EEDEC0, 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 0x0000021898EEDA10, 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 0x0000021898EEE1E0, 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 0x0000021898EEDFB0, 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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