Task 38666925

Name test_14-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4642_0
Workunit 31609650
Created 25 Oct 2026, 5:30:53 UTC
Sent 25 Oct 2026, 5:31:55 UTC
Report deadline 30 Oct 2026, 5:31:55 UTC
Received 25 Oct 2026, 8:34:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 2 hours 0 min 37 sec
CPU time 1 hours 56 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.87 MB
Peak swap size 8.39 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:36:40 (30012): wrapper (7.9.26016): starting
01:36:40 (30012): 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
01:36:41 (30012): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:36:41 (30012): 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
03:34:25 (30012): C:/Windows/system32/cmd.exe exited; CPU time 6990.437500
03:34:25 (30012): 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: 128129455 bytes.
Dumping objects ->
{3835438} normal block at 0x00000206C27DAD10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000206C27B5450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x00000206C27B5290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x00000206C27B51B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x00000206C27B5220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x00000206C45869D0, 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) : {3835350} normal block at 0x00000206C27B1410, 8 bytes long.
 Data: <  <&#196;    > 00 00 3C C4 06 02 00 00 
{3833965} normal block at 0x00000206C27B0F60, 8 bytes long.
 Data: <&#192;&#249;y&#194;    > C0 F9 79 C2 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000206C27A6DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000206C27A7FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000206C27B6840, 16 bytes long.
 Data: <xq{&#194;            > 78 71 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000206C27B6020, 16 bytes long.
 Data: <Pq{&#194;            > 50 71 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000206C27AE940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000206C27B62A0, 16 bytes long.
 Data: <(q{&#194;            > 28 71 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000206C27B5F80, 16 bytes long.
 Data: < q{&#194;            > 00 71 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206C27B69D0, 16 bytes long.
 Data: <&#216;p{&#194;            > D8 70 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206C27B6C50, 16 bytes long.
 Data: <&#176;p{&#194;            > B0 70 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000206C27B5140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000206C27B5F30, 16 bytes long.
 Data: <x z&#194;            > 78 02 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206C27AEFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000206C27B6520, 16 bytes long.
 Data: <P z&#194;            > 50 02 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206C27B6610, 16 bytes long.
 Data: <( z&#194;            > 28 02 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206C27B6BB0, 16 bytes long.
 Data: <  z&#194;            > 00 02 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000206C27B61B0, 16 bytes long.
 Data: <&#216; z&#194;            > D8 01 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206C27B6390, 16 bytes long.
 Data: <&#176; z&#194;            > B0 01 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206C27B5FD0, 16 bytes long.
 Data: <  z&#194;            > 88 01 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206C27AF780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000206C27B65C0, 16 bytes long.
 Data: <` z&#194;            > 60 01 7A C2 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206C27A0160, 320 bytes long.
 Data: <&#192;e{&#194;     &#247;z&#194;    > C0 65 7B C2 06 02 00 00 80 F7 7A C2 06 02 00 00 
{278} normal block at 0x00000206C27B6980, 16 bytes long.
 Data: < p{&#194;            > 90 70 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206C27B6C00, 16 bytes long.
 Data: <hp{&#194;            > 68 70 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000206C27AED00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000206C27B6A70, 16 bytes long.
 Data: <@p{&#194;            > 40 70 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206C27AEBE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000206C27B6250, 16 bytes long.
 Data: < o{&#194;            > 88 6F 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206C27B6200, 16 bytes long.
 Data: <`o{&#194;            > 60 6F 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206C27B6700, 16 bytes long.
 Data: <8o{&#194;            > 38 6F 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206C27B6B10, 16 bytes long.
 Data: < o{&#194;            > 10 6F 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206C27B6AC0, 16 bytes long.
 Data: <&#232;n{&#194;            > E8 6E 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206C27B6340, 16 bytes long.
 Data: <&#192;n{&#194;            > C0 6E 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206C27B6430, 16 bytes long.
 Data: < V{&#194;            > 80 56 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206C27B5680, 40 bytes long.
 Data: <0d{&#194;    &#208;iX&#196;    > 30 64 7B C2 06 02 00 00 D0 69 58 C4 06 02 00 00 
{264} normal block at 0x00000206C27B5E90, 16 bytes long.
 Data: <&#160;n{&#194;            > A0 6E 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206C27B5EE0, 16 bytes long.
 Data: <xn{&#194;            > 78 6E 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206C27AEAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000206C27B6DE0, 16 bytes long.
 Data: <Pn{&#194;            > 50 6E 7B C2 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206C27B6E50, 992 bytes long.
 Data: <&#224;m{&#194;    &#192;&#234;z&#194;    > E0 6D 7B C2 06 02 00 00 C0 EA 7A C2 06 02 00 00 
{96} normal block at 0x00000206C27AF060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000206C27B0650, 16 bytes long.
 Data: <&#192;&#254;y&#194;            > C0 FE 79 C2 06 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000206C279FEC0, 40 bytes long.
 Data: <P {&#194;    `&#240;z&#194;    > 50 06 7B C2 06 02 00 00 60 F0 7A C2 06 02 00 00 
{73} normal block at 0x00000206C27B1140, 16 bytes long.
 Data: < &#234;# &#246;           > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000206C27B0D80, 16 bytes long.
 Data: <@&#233;# &#246;           > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000206C27B0BF0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000206C27B0E20, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000206C27B0DD0, 16 bytes long.
 Data: <P   &#246;           > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206C27B0600, 16 bytes long.
 Data: <0   &#246;           > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206C27B1460, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206C27B05B0, 16 bytes long.
 Data: <    &#246;           > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206C27B07E0, 16 bytes long.
 Data: <p   &#246;           > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206C27B06F0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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