Task 38682231

Name test_371-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND9677_0
Workunit 31623861
Created 27 Oct 2026, 7:04:19 UTC
Sent 27 Oct 2026, 7:04:26 UTC
Report deadline 1 Nov 2026, 7:04:26 UTC
Received 27 Oct 2026, 7:59:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 19 min 37 sec
CPU time 17 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.25 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
03:38:48 (50712): wrapper (7.9.26016): starting
03:38:48 (50712): 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
03:38:49 (50712): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:38:49 (50712): 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\6\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\6\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
03:57:25 (50712): C:/Windows/system32/cmd.exe exited; CPU time 1069.843750
03:57:25 (50712): 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: 29402135 bytes.
Dumping objects ->
{3835602} normal block at 0x00000169BB156FF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x00000169BB157680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x00000169BB156F80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x00000169B93B6B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000169B93B6B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x00000169BB0F6E10, 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) : {3835514} normal block at 0x00000169B93AB930, 8 bytes long.
 Data: <  }&#185;i   > 00 00 7D B9 69 01 00 00 
{3833973} normal block at 0x00000169B93AC510, 8 bytes long.
 Data: < &#233;H&#185;i   > 80 E9 48 B9 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000169B93B2B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000169B93A0080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000169B93B82A0, 16 bytes long.
 Data: <&#216;&#134;;&#185;i           > D8 86 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000169B93B7E90, 16 bytes long.
 Data: <&#176;&#134;;&#185;i           > B0 86 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000169B93B0FC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x00000169B93B8250, 16 bytes long.
 Data: < &#134;;&#185;i           > 88 86 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000169B93B8200, 16 bytes long.
 Data: <`&#134;;&#185;i           > 60 86 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000169B93B7EE0, 16 bytes long.
 Data: <8&#134;;&#185;i           > 38 86 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000169B93B7800, 16 bytes long.
 Data: < &#134;;&#185;i           > 10 86 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000169B93B68D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000169B93B82F0, 16 bytes long.
 Data: <  :&#185;i           > 08 14 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000169B93B0420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x00000169B93B7A80, 16 bytes long.
 Data: <&#224; :&#185;i           > E0 13 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000169B93B7D00, 16 bytes long.
 Data: <&#184; :&#185;i           > B8 13 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000169B93B7940, 16 bytes long.
 Data: <  :&#185;i           > 90 13 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000169B93B7620, 16 bytes long.
 Data: <h :&#185;i           > 68 13 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000169B93B7CB0, 16 bytes long.
 Data: <@ :&#185;i           > 40 13 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000169B93B7A30, 16 bytes long.
 Data: <  :&#185;i           > 18 13 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000169B93B02A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000169B93B7B20, 16 bytes long.
 Data: <&#240; :&#185;i           > F0 12 3A B9 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000169B93A12F0, 320 bytes long.
 Data: < {;&#185;i   &#160; ;&#185;i   > 20 7B 3B B9 69 01 00 00 A0 02 3B B9 69 01 00 00 
{282} normal block at 0x00000169B93B80C0, 16 bytes long.
 Data: <&#240;&#133;;&#185;i           > F0 85 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000169B93B7C60, 16 bytes long.
 Data: <&#200;&#133;;&#185;i           > C8 85 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000169B93B07E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x00000169B93B7D50, 16 bytes long.
 Data: <&#160;&#133;;&#185;i           > A0 85 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000169B93B0CC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x00000169B93B7DF0, 16 bytes long.
 Data: <&#232;&#132;;&#185;i           > E8 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000169B93B7E40, 16 bytes long.
 Data: <&#192;&#132;;&#185;i           > C0 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000169B93B78A0, 16 bytes long.
 Data: < &#132;;&#185;i           > 98 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000169B93B7AD0, 16 bytes long.
 Data: <p&#132;;&#185;i           > 70 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000169B93B75D0, 16 bytes long.
 Data: <H&#132;;&#185;i           > 48 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000169B93B8020, 16 bytes long.
 Data: < &#132;;&#185;i           > 20 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000169B93B8070, 16 bytes long.
 Data: <&#176;i;&#185;i           > B0 69 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000169B93B69B0, 40 bytes long.
 Data: <p ;&#185;i    n &#187;i   > 70 80 3B B9 69 01 00 00 10 6E 0F BB 69 01 00 00 
{268} normal block at 0x00000169B93B7FD0, 16 bytes long.
 Data: < &#132;;&#185;i           > 00 84 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000169B93B7530, 16 bytes long.
 Data: <&#216;&#131;;&#185;i           > D8 83 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000169B93B0A80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x00000169B93B81B0, 16 bytes long.
 Data: <&#176;&#131;;&#185;i           > B0 83 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000169B93B83B0, 992 bytes long.
 Data: <&#176; ;&#185;i     ;&#185;i   > B0 81 3B B9 69 01 00 00 80 0A 3B B9 69 01 00 00 
{100} normal block at 0x00000169B93B0D20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x00000169B93AC100, 16 bytes long.
 Data: <0f;&#185;i           > 30 66 3B B9 69 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x00000169B93B6630, 40 bytes long.
 Data: < &#193;:&#185;i     ;&#185;i   > 00 C1 3A B9 69 01 00 00 20 0D 3B B9 69 01 00 00 
{77} normal block at 0x00000169B93AC290, 16 bytes long.
 Data: < &#234; &#137;&#247;           > 80 EA 1D 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000169B93AC3D0, 16 bytes long.
 Data: <@&#233; &#137;&#247;           > 40 E9 1D 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000169B93AC2E0, 16 bytes long.
 Data: <&#248;W &#137;&#247;           > F8 57 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000169B93AC330, 16 bytes long.
 Data: <&#216;W &#137;&#247;           > D8 57 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000169B93ABD90, 16 bytes long.
 Data: <P  &#137;&#247;           > 50 04 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000169B93ABFC0, 16 bytes long.
 Data: <0  &#137;&#247;           > 30 04 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000169B93ABAC0, 16 bytes long.
 Data: <&#224;  &#137;&#247;           > E0 02 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000169B93AC4C0, 16 bytes long.
 Data: <   &#137;&#247;           > 10 04 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000169B93AC6A0, 16 bytes long.
 Data: <p  &#137;&#247;           > 70 04 1A 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000169B93AC560, 16 bytes long.
 Data: < &#192; &#137;&#247;           > 18 C0 18 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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