Task 38689301

Name test_673-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8883_0
Workunit 31630570
Created 28 Oct 2026, 19:58:05 UTC
Sent 28 Oct 2026, 19:58:09 UTC
Report deadline 2 Nov 2026, 19:58:09 UTC
Received 28 Oct 2026, 23:04:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 1 min 47 sec
CPU time 57 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.97 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:03:45 (36328): wrapper (7.9.26016): starting
18:03:45 (36328): 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
18:03:47 (36328): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:03:47 (36328): 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\11\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\11\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
19:03:45 (36328): C:/Windows/system32/cmd.exe exited; CPU time 3475.921875
19:03:45 (36328): 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: 74776953 bytes.
Dumping objects ->
{3835525} normal block at 0x00000269DA486F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x00000269DA487CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x00000269DA486ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x00000269DA4873A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000269DA486FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x00000269DA3ECC90, 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) : {3835437} normal block at 0x00000269D87FCC40, 8 bytes long.
 Data: <  z&#216;i   > 00 00 7A D8 69 02 00 00 
{3833969} normal block at 0x00000269D87FD370, 8 bytes long.
 Data: < G &#216;i   > 00 47 80 D8 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000269D8801170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000269D87F5970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000269D88053C0, 16 bytes long.
 Data: <&#168;a &#216;i           > A8 61 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000269D8805500, 16 bytes long.
 Data: < a &#216;i           > 80 61 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000269D87FF020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000269D8805370, 16 bytes long.
 Data: <Xa &#216;i           > 58 61 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000269D8804F60, 16 bytes long.
 Data: <0a &#216;i           > 30 61 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000269D8805820, 16 bytes long.
 Data: < a &#216;i           > 08 61 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000269D8805320, 16 bytes long.
 Data: <&#224;` &#216;i           > E0 60 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000269D8803760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000269D88052D0, 16 bytes long.
 Data: < &#246;~&#216;i           > 08 F6 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000269D87FE960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000269D8805280, 16 bytes long.
 Data: <&#224;&#245;~&#216;i           > E0 F5 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000269D8805230, 16 bytes long.
 Data: <&#184;&#245;~&#216;i           > B8 F5 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000269D88054B0, 16 bytes long.
 Data: < &#245;~&#216;i           > 90 F5 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000269D88056E0, 16 bytes long.
 Data: <h&#245;~&#216;i           > 68 F5 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000269D8805AA0, 16 bytes long.
 Data: <@&#245;~&#216;i           > 40 F5 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000269D8805910, 16 bytes long.
 Data: < &#245;~&#216;i           > 18 F5 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000269D87FE600, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000269D88051E0, 16 bytes long.
 Data: <&#240;&#244;~&#216;i           > F0 F4 7E D8 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000269D87EF4F0, 320 bytes long.
 Data: <&#224;Q &#216;i    &#230; &#216;i   > E0 51 80 D8 69 02 00 00 00 E6 7F D8 69 02 00 00 
{280} normal block at 0x00000269D8804EC0, 16 bytes long.
 Data: <&#192;` &#216;i           > C0 60 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000269D88050F0, 16 bytes long.
 Data: < ` &#216;i           > 98 60 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000269D87FED20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000269D8805550, 16 bytes long.
 Data: <p` &#216;i           > 70 60 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000269D87FE5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000269D8805870, 16 bytes long.
 Data: <&#184;_ &#216;i           > B8 5F 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000269D88057D0, 16 bytes long.
 Data: < _ &#216;i           > 90 5F 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000269D8805190, 16 bytes long.
 Data: <h_ &#216;i           > 68 5F 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000269D88050A0, 16 bytes long.
 Data: <@_ &#216;i           > 40 5F 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000269D8805BE0, 16 bytes long.
 Data: < _ &#216;i           > 18 5F 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000269D8805140, 16 bytes long.
 Data: <&#240;^ &#216;i           > F0 5E 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000269D8805410, 16 bytes long.
 Data: <&#224;3 &#216;i           > E0 33 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000269D88033E0, 40 bytes long.
 Data: < T &#216;i    &#204;>&#218;i   > 10 54 80 D8 69 02 00 00 90 CC 3E DA 69 02 00 00 
{266} normal block at 0x00000269D8805DC0, 16 bytes long.
 Data: <&#208;^ &#216;i           > D0 5E 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000269D8805CD0, 16 bytes long.
 Data: <&#168;^ &#216;i           > A8 5E 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000269D87FE420, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000269D8805A00, 16 bytes long.
 Data: < ^ &#216;i           > 80 5E 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000269D8805E80, 992 bytes long.
 Data: < Z &#216;i    &#228; &#216;i   > 00 5A 80 D8 69 02 00 00 20 E4 7F D8 69 02 00 00 
{98} normal block at 0x00000269D87FEC60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000269D87FCEC0, 16 bytes long.
 Data: < 9 &#216;i           > 90 39 80 D8 69 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000269D8803990, 40 bytes long.
 Data: <&#192;&#206; &#216;i   `&#236; &#216;i   > C0 CE 7F D8 69 02 00 00 60 EC 7F D8 69 02 00 00 
{75} normal block at 0x00000269D87FD0A0, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000269D87FD690, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000269D87FD230, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000269D87FD2D0, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000269D87FCD80, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000269D87FCBF0, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000269D87FCE70, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000269D87FCD30, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000269D87FCB50, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000269D87FD1E0, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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