Task 38684809

Name test_250-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9091_0
Workunit 31626311
Created 27 Oct 2026, 18:05:52 UTC
Sent 27 Oct 2026, 18:05:57 UTC
Report deadline 1 Nov 2026, 18:05:57 UTC
Received 27 Oct 2026, 19:07:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607579
Run time 30 min 8 sec
CPU time 28 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.77 MB
Peak swap size 9.93 GB
Peak disk usage 4.13 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:37:41 (20384): wrapper (7.9.26016): starting
19:37:41 (20384): 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
19:37:42 (20384): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:37:42 (20384): 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
20:06:57 (20384): C:/Windows/system32/cmd.exe exited; CPU time 1714.437500
20:06:57 (20384): 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: 41523517 bytes.
Dumping objects ->
{3835569} normal block at 0x000002153B0C5210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000002153B0C50C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000215392B4EF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000215392B4E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000215392B4E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000002153B069CB0, 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) : {3835481} normal block at 0x00000215392AF080, 8 bytes long.
 Data: <  m9    > 00 00 6D 39 15 02 00 00 
{3833967} normal block at 0x00000215392AF670, 8 bytes long.
 Data: <&#224;&#229;89    > E0 E5 38 39 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000215392B1CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000215392A6AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000215392B58D0, 16 bytes long.
 Data: <&#184;k+9            > B8 6B 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000215392B5BA0, 16 bytes long.
 Data: < k+9            > 90 6B 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000215392AD570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000215392B6730, 16 bytes long.
 Data: <hk+9            > 68 6B 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000215392B59C0, 16 bytes long.
 Data: <@k+9            > 40 6B 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000215392B6280, 16 bytes long.
 Data: < k+9            > 18 6B 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000215392B63C0, 16 bytes long.
 Data: <&#240;j+9            > F0 6A 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000215392B5120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000215392B5920, 16 bytes long.
 Data: <X&#246;)9            > 58 F6 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000215392AE2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000215392B5CE0, 16 bytes long.
 Data: <0&#246;)9            > 30 F6 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000215392B6550, 16 bytes long.
 Data: < &#246;)9            > 08 F6 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000215392B6500, 16 bytes long.
 Data: <&#224;&#245;)9            > E0 F5 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000215392B5B50, 16 bytes long.
 Data: <&#184;&#245;)9            > B8 F5 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000215392B61E0, 16 bytes long.
 Data: < &#245;)9            > 90 F5 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000215392B5B00, 16 bytes long.
 Data: <h&#245;)9            > 68 F5 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000215392AE470, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000215392B6190, 16 bytes long.
 Data: <@&#245;)9            > 40 F5 29 39 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002153929F540, 320 bytes long.
 Data: < a+9    p&#228;*9    > 90 61 2B 39 15 02 00 00 70 E4 2A 39 15 02 00 00 
{279} normal block at 0x00000215392B6230, 16 bytes long.
 Data: <&#208;j+9            > D0 6A 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000215392B6140, 16 bytes long.
 Data: <&#168;j+9            > A8 6A 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000215392AE1D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000215392B5C90, 16 bytes long.
 Data: < j+9            > 80 6A 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000215392AE230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000215392B6050, 16 bytes long.
 Data: <&#200;i+9            > C8 69 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000215392B5E20, 16 bytes long.
 Data: <&#160;i+9            > A0 69 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215392B6820, 16 bytes long.
 Data: <xi+9            > 78 69 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000215392B5A10, 16 bytes long.
 Data: <Pi+9            > 50 69 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000215392B60A0, 16 bytes long.
 Data: <(i+9            > 28 69 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000215392B6320, 16 bytes long.
 Data: < i+9            > 00 69 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000215392B5FB0, 16 bytes long.
 Data: <&#208;O+9            > D0 4F 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215392B4FD0, 40 bytes long.
 Data: <&#176;_+9    &#176;&#156; ;    > B0 5F 2B 39 15 02 00 00 B0 9C 06 3B 15 02 00 00 
{265} normal block at 0x00000215392B5F10, 16 bytes long.
 Data: <&#224;h+9            > E0 68 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000215392B64B0, 16 bytes long.
 Data: <&#184;h+9            > B8 68 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215392AD630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000215392B62D0, 16 bytes long.
 Data: < h+9            > 90 68 2B 39 15 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000215392B6890, 992 bytes long.
 Data: <&#208;b+9    0&#214;*9    > D0 62 2B 39 15 02 00 00 30 D6 2A 39 15 02 00 00 
{97} normal block at 0x00000215392ADE70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000215392AEFE0, 16 bytes long.
 Data: < &#238;*9            > 90 EE 2A 39 15 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000215392AEE90, 40 bytes long.
 Data: <&#224;&#239;*9    p&#222;*9    > E0 EF 2A 39 15 02 00 00 70 DE 2A 39 15 02 00 00 
{74} normal block at 0x00000215392AFE90, 16 bytes long.
 Data: < &#234;&#191; &#247;           > 80 EA BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000215392AFE40, 16 bytes long.
 Data: <@&#233;&#191; &#247;           > 40 E9 BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000215392AF760, 16 bytes long.
 Data: <&#248;W&#188; &#247;           > F8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000215392AFDF0, 16 bytes long.
 Data: <&#216;W&#188; &#247;           > D8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000215392AFC60, 16 bytes long.
 Data: <P &#188; &#247;           > 50 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000215392AF580, 16 bytes long.
 Data: <0 &#188; &#247;           > 30 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000215392AFEE0, 16 bytes long.
 Data: <&#224; &#188; &#247;           > E0 02 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000215392AF9E0, 16 bytes long.
 Data: <  &#188; &#247;           > 10 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000215392AF350, 16 bytes long.
 Data: <p &#188; &#247;           > 70 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000215392AFC10, 16 bytes long.
 Data: < &#192;&#186; &#247;           > 18 C0 BA 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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