Task 38683820

Name test_634-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7134_0
Workunit 31625364
Created 27 Oct 2026, 13:28:33 UTC
Sent 27 Oct 2026, 13:28:35 UTC
Report deadline 1 Nov 2026, 13:28:35 UTC
Received 27 Oct 2026, 16:08:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616686
Run time 56 min 34 sec
CPU time 41 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,849.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.00 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:13:17 (18296): wrapper (7.9.26016): starting
11:13:17 (18296): 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
11:13:19 (18296): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:13:19 (18296): 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 'D:\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 'D:\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
12:07:54 (18296): C:/Windows/system32/cmd.exe exited; CPU time 2467.859375
12:07:54 (18296): 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: 93214155 bytes.
Dumping objects ->
{3835431} normal block at 0x000002A41B5B5430, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835420} normal block at 0x000002A41B5B5200, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x000002A41B5B4E10, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835398} normal block at 0x000002A4197D1020, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835387} normal block at 0x000002A4197D0F40, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835356} normal block at 0x000002A41B49BFC0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835343} normal block at 0x000002A4197CB090, 8 bytes long.
 Data: <  y &#164;   > 00 00 79 19 A4 02 00 00 
{3833957} normal block at 0x000002A4197CB040, 8 bytes long.
 Data: < &#197;{ &#164;   > 00 C5 7B 19 A4 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A4197BF550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A4197C0450, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002A4197D3440, 16 bytes long.
 Data: <&#232;A} &#164;           > E8 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A4197D3620, 16 bytes long.
 Data: <&#192;A} &#164;           > C0 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A4197CD0B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002A4197D33F0, 16 bytes long.
 Data: < A} &#164;           > 98 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A4197D3210, 16 bytes long.
 Data: <pA} &#164;           > 70 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A4197D2AE0, 16 bytes long.
 Data: <HA} &#164;           > 48 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A4197D35D0, 16 bytes long.
 Data: < A} &#164;           > 20 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A4197D1100, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002A4197D2C70, 16 bytes long.
 Data: <&#184;&#224;{ &#164;           > B8 E0 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A4197CD8F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002A4197D3300, 16 bytes long.
 Data: < &#224;{ &#164;           > 90 E0 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A4197D2A40, 16 bytes long.
 Data: <h&#224;{ &#164;           > 68 E0 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A4197D31C0, 16 bytes long.
 Data: <@&#224;{ &#164;           > 40 E0 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A4197D2FE0, 16 bytes long.
 Data: < &#224;{ &#164;           > 18 E0 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A4197D3530, 16 bytes long.
 Data: <&#240;&#223;{ &#164;           > F0 DF 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A4197D32B0, 16 bytes long.
 Data: <&#200;&#223;{ &#164;           > C8 DF 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A4197CD9B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002A4197D2D10, 16 bytes long.
 Data: <&#160;&#223;{ &#164;           > A0 DF 7B 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A4197BDFA0, 320 bytes long.
 Data: < -} &#164;   &#176;&#217;| &#164;   > 10 2D 7D 19 A4 02 00 00 B0 D9 7C 19 A4 02 00 00 
{274} normal block at 0x000002A4197D29F0, 16 bytes long.
 Data: < A} &#164;           > 00 41 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A4197D3800, 16 bytes long.
 Data: <&#216;@} &#164;           > D8 40 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A4197CD530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002A4197D2CC0, 16 bytes long.
 Data: <&#176;@} &#164;           > B0 40 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A4197CD3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002A4197D3030, 16 bytes long.
 Data: <&#248;?} &#164;           > F8 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A4197D2E50, 16 bytes long.
 Data: <&#208;?} &#164;           > D0 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A4197D37B0, 16 bytes long.
 Data: <&#168;?} &#164;           > A8 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A4197D2E00, 16 bytes long.
 Data: < ?} &#164;           > 80 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A4197D3080, 16 bytes long.
 Data: <X?} &#164;           > 58 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A4197D3350, 16 bytes long.
 Data: <0?} &#164;           > 30 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A4197D29A0, 16 bytes long.
 Data: <&#208; } &#164;           > D0 15 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A4197D15D0, 40 bytes long.
 Data: <&#160;)} &#164;   &#192;&#191;I &#164;   > A0 29 7D 19 A4 02 00 00 C0 BF 49 1B A4 02 00 00 
{260} normal block at 0x000002A4197D2D60, 16 bytes long.
 Data: < ?} &#164;           > 10 3F 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A4197D2BD0, 16 bytes long.
 Data: <&#232;>} &#164;           > E8 3E 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A4197CD4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002A4197D3670, 16 bytes long.
 Data: <&#192;>} &#164;           > C0 3E 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A4197D3EC0, 992 bytes long.
 Data: <p6} &#164;   &#208;&#212;| &#164;   > 70 36 7D 19 A4 02 00 00 D0 D4 7C 19 A4 02 00 00 
{92} normal block at 0x000002A4197CD5F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002A4197CB310, 16 bytes long.
 Data: <  } &#164;           > 90 10 7D 19 A4 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002A4197D1090, 40 bytes long.
 Data: < &#179;| &#164;   &#240;&#213;| &#164;   > 10 B3 7C 19 A4 02 00 00 F0 D5 7C 19 A4 02 00 00 
{69} normal block at 0x000002A4197CAD20, 16 bytes long.
 Data: < &#234;YF&#247;           > 80 EA 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A4197CBAE0, 16 bytes long.
 Data: <@&#233;YF&#247;           > 40 E9 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A4197CAFF0, 16 bytes long.
 Data: <&#248;WVF&#247;           > F8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A4197CB5E0, 16 bytes long.
 Data: <&#216;WVF&#247;           > D8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A4197CB770, 16 bytes long.
 Data: <P VF&#247;           > 50 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A4197CACD0, 16 bytes long.
 Data: <0 VF&#247;           > 30 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A4197CB3B0, 16 bytes long.
 Data: <&#224; VF&#247;           > E0 02 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A4197CB630, 16 bytes long.
 Data: <  VF&#247;           > 10 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A4197CBB30, 16 bytes long.
 Data: <p VF&#247;           > 70 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A4197CB590, 16 bytes long.
 Data: < &#192;TF&#247;           > 18 C0 54 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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