Task 38682819

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7593_0
Workunit 31624412
Created 27 Oct 2026, 9:15:38 UTC
Sent 27 Oct 2026, 9:15:43 UTC
Report deadline 1 Nov 2026, 9:15:43 UTC
Received 27 Oct 2026, 11:17:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 18 sec
CPU time 28 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.91 MB
Peak swap size 6.91 GB
Peak disk usage 4.01 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:48:18 (13716): wrapper (7.9.26016): starting
05:48:18 (13716): 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
05:48:20 (13716): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:48:20 (13716): 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
06:17:01 (13716): C:/Windows/system32/cmd.exe exited; CPU time 1692.890625
06:17:01 (13716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 21493635 bytes.
Dumping objects ->
{3835234} normal block at 0x0000021FD02F5F20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000021FCE6B5BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000021FCE6B5CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000021FCE6B5B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000021FCE6B5C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000021FD026B820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000021FD027F680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x0000021FCE6B0390, 8 bytes long.
 Data: <  d&#206;    > 00 00 64 CE 1F 02 00 00 
{3834542} normal block at 0x0000021FD027FC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000021FCE6B0160, 8 bytes long.
 Data: <&#224;Rk&#206;    > E0 52 6B CE 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021FCE6B15F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021FCE6A6FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000021FCE6B68D0, 16 bytes long.
 Data: < tk&#206;            > 88 74 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021FCE6B6D80, 16 bytes long.
 Data: <`tk&#206;            > 60 74 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021FCE6B0BE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000021FCE6B6CE0, 16 bytes long.
 Data: <8tk&#206;            > 38 74 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FCE6B6740, 16 bytes long.
 Data: < tk&#206;            > 10 74 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FCE6B7000, 16 bytes long.
 Data: <&#232;sk&#206;            > E8 73 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021FCE6B6DD0, 16 bytes long.
 Data: <&#192;sk&#206;            > C0 73 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FCE6B6090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000021FCE6B6BA0, 16 bytes long.
 Data: < &#231;i&#206;            > 08 E7 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021FCE6B1360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000021FCE6B6B50, 16 bytes long.
 Data: <&#224;&#230;i&#206;            > E0 E6 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FCE6B6BF0, 16 bytes long.
 Data: <&#184;&#230;i&#206;            > B8 E6 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021FCE6B6FB0, 16 bytes long.
 Data: < &#230;i&#206;            > 90 E6 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021FCE6B6F60, 16 bytes long.
 Data: <h&#230;i&#206;            > 68 E6 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FCE6B6C90, 16 bytes long.
 Data: <@&#230;i&#206;            > 40 E6 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FCE6B6AB0, 16 bytes long.
 Data: < &#230;i&#206;            > 18 E6 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021FCE6B1240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021FCE6B6470, 16 bytes long.
 Data: <&#240;&#229;i&#206;            > F0 E5 69 CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021FCE69E5F0, 320 bytes long.
 Data: <pdk&#206;    @ k&#206;    > 70 64 6B CE 1F 02 00 00 40 12 6B CE 1F 02 00 00 
{276} normal block at 0x0000021FCE6B6E70, 16 bytes long.
 Data: <&#160;sk&#206;            > A0 73 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021FCE6B6880, 16 bytes long.
 Data: <xsk&#206;            > 78 73 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021FCE6B1180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000021FCE6B6B00, 16 bytes long.
 Data: <Psk&#206;            > 50 73 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021FCE6B0A60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000021FCE6B6650, 16 bytes long.
 Data: < rk&#206;            > 98 72 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021FCE6B6A60, 16 bytes long.
 Data: <prk&#206;            > 70 72 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021FCE6B69C0, 16 bytes long.
 Data: <Hrk&#206;            > 48 72 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021FCE6B63D0, 16 bytes long.
 Data: < rk&#206;            > 20 72 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021FCE6B6830, 16 bytes long.
 Data: <&#248;qk&#206;            > F8 71 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021FCE6B6330, 16 bytes long.
 Data: <&#208;qk&#206;            > D0 71 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021FCE6B6240, 16 bytes long.
 Data: <`^k&#206;            > 60 5E 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021FCE6B5E60, 40 bytes long.
 Data: <@bk&#206;     &#184;&&#208;    > 40 62 6B CE 1F 02 00 00 20 B8 26 D0 1F 02 00 00 
{262} normal block at 0x0000021FCE6B6970, 16 bytes long.
 Data: <&#176;qk&#206;            > B0 71 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021FCE6B6380, 16 bytes long.
 Data: < qk&#206;            > 88 71 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021FCE6B0880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000021FCE6B6920, 16 bytes long.
 Data: <`qk&#206;            > 60 71 6B CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021FCE6B7160, 992 bytes long.
 Data: < ik&#206;      k&#206;    > 20 69 6B CE 1F 02 00 00 80 08 6B CE 1F 02 00 00 
{94} normal block at 0x0000021FCE6B1000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000021FCE6B0340, 16 bytes long.
 Data: <0&#244;j&#206;            > 30 F4 6A CE 1F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021FCE6AF430, 40 bytes long.
 Data: <@ k&#206;      k&#206;    > 40 03 6B CE 1F 02 00 00 00 10 6B CE 1F 02 00 00 
{71} normal block at 0x0000021FCE6AFEE0, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021FCE6AF670, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021FCE6B0430, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021FCE6AF620, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021FCE6AFA30, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021FCE6AFB70, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021FCE6AF850, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FCE6B0110, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021FCE6AF5D0, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021FCE6AFE40, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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