Task 38681663

Name test_403-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1692_0
Workunit 31623321
Created 27 Oct 2026, 4:52:05 UTC
Sent 27 Oct 2026, 4:52:05 UTC
Report deadline 1 Nov 2026, 4:52:05 UTC
Received 27 Oct 2026, 7:34:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 41 min 56 sec
CPU time 40 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.88 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:53:48 (39436): wrapper (7.9.26016): starting
07:53:48 (39436): 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
07:53:49 (39436): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:53:49 (39436): 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 'D:\ProgramData\BOINC\slots\12\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 'D:\ProgramData\BOINC\slots\12\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
08:34:21 (39436): C:/Windows/system32/cmd.exe exited; CPU time 2418.875000
08:34:21 (39436): 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: 43638033 bytes.
Dumping objects ->
{3835207} normal block at 0x000001D321F14510, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001D321F14BA0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001D321F14A50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x000001D321F14B30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001D321F145F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x000001D323CE7640, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x000001D323CFEBC0, 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) : {3835118} normal block at 0x000001D321F0E5D0, 8 bytes long.
 Data: <  V"&#211;   > 00 00 56 22 D3 01 00 00 
{3834522} normal block at 0x000001D323CFE430, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001D321F0F1B0, 8 bytes long.
 Data: <`&#226;&#191;#&#211;   > 60 E2 BF 23 D3 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D321F10870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D321F05F90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001D321F15760, 16 bytes long.
 Data: < d&#241;!&#211;           > 08 64 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D321F15620, 16 bytes long.
 Data: <&#224;c&#241;!&#211;           > E0 63 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D321F0F8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001D321F16070, 16 bytes long.
 Data: <&#184;c&#241;!&#211;           > B8 63 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D321F15B20, 16 bytes long.
 Data: < c&#241;!&#211;           > 90 63 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D321F15260, 16 bytes long.
 Data: <hc&#241;!&#211;           > 68 63 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D321F15710, 16 bytes long.
 Data: <@c&#241;!&#211;           > 40 63 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D321F14900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001D321F15A30, 16 bytes long.
 Data: <&#168;&#142;&#240;!&#211;           > A8 8E F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D321F0FFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001D321F16020, 16 bytes long.
 Data: < &#142;&#240;!&#211;           > 80 8E F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D321F159E0, 16 bytes long.
 Data: <X&#142;&#240;!&#211;           > 58 8E F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D321F15E90, 16 bytes long.
 Data: <0&#142;&#240;!&#211;           > 30 8E F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D321F15C60, 16 bytes long.
 Data: < &#142;&#240;!&#211;           > 08 8E F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D321F15FD0, 16 bytes long.
 Data: <&#224; &#240;!&#211;           > E0 8D F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D321F15530, 16 bytes long.
 Data: <&#184; &#240;!&#211;           > B8 8D F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D321F103C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001D321F153F0, 16 bytes long.
 Data: <  &#240;!&#211;           > 90 8D F0 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D321F08D90, 320 bytes long.
 Data: <&#240;S&#241;!&#211;   &#192; &#241;!&#211;   > F0 53 F1 21 D3 01 00 00 C0 03 F1 21 D3 01 00 00 
{269} normal block at 0x000001D321F158F0, 16 bytes long.
 Data: < c&#241;!&#211;           > 20 63 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D321F15D50, 16 bytes long.
 Data: <&#248;b&#241;!&#211;           > F8 62 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D321F10000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001D321F15E40, 16 bytes long.
 Data: <&#208;b&#241;!&#211;           > D0 62 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D321F10180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001D321F15F30, 16 bytes long.
 Data: < b&#241;!&#211;           > 18 62 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D321F15AD0, 16 bytes long.
 Data: <&#240;a&#241;!&#211;           > F0 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D321F154E0, 16 bytes long.
 Data: <&#200;a&#241;!&#211;           > C8 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D321F158A0, 16 bytes long.
 Data: <&#160;a&#241;!&#211;           > A0 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D321F15580, 16 bytes long.
 Data: <xa&#241;!&#211;           > 78 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D321F156C0, 16 bytes long.
 Data: <Pa&#241;!&#211;           > 50 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D321F15300, 16 bytes long.
 Data: < L&#241;!&#211;           > 10 4C F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D321F14C10, 40 bytes long.
 Data: < S&#241;!&#211;   @v&#206;#&#211;   > 00 53 F1 21 D3 01 00 00 40 76 CE 23 D3 01 00 00 
{255} normal block at 0x000001D321F15F80, 16 bytes long.
 Data: <0a&#241;!&#211;           > 30 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D321F15DF0, 16 bytes long.
 Data: < a&#241;!&#211;           > 08 61 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D321F10060, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001D321F153A0, 16 bytes long.
 Data: <&#224;`&#241;!&#211;           > E0 60 F1 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D321F160E0, 992 bytes long.
 Data: <&#160;S&#241;!&#211;   ` &#241;!&#211;   > A0 53 F1 21 D3 01 00 00 60 00 F1 21 D3 01 00 00 
{87} normal block at 0x000001D321F0FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001D321F0E8A0, 16 bytes long.
 Data: <&#192;&#209;&#239;!&#211;           > C0 D1 EF 21 D3 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001D321EFD1C0, 40 bytes long.
 Data: <&#160;&#232;&#240;!&#211;   @&#255;&#240;!&#211;   > A0 E8 F0 21 D3 01 00 00 40 FF F0 21 D3 01 00 00 
{64} normal block at 0x000001D321F0F0C0, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D321F0EAD0, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D321F0F480, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D321F0F3E0, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D321F0E710, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D321F0EDA0, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D321F0F4D0, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D321F0F200, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D321F0E620, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D321F0F390, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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