Task 38684185

Name test_328-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7091_0
Workunit 31625706
Created 27 Oct 2026, 15:06:51 UTC
Sent 27 Oct 2026, 15:06:55 UTC
Report deadline 1 Nov 2026, 15:06:55 UTC
Received 27 Oct 2026, 22:18:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641248
Run time 1 hours 47 min 36 sec
CPU time 1 hours 46 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,740.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.80 MB
Peak swap size 11.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:31:47 (14608): wrapper (7.9.26016): starting
21:31:47 (14608): 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
21:31:48 (14608): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:31:48 (14608): 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\18\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\18\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
23:18:14 (14608): C:/Windows/system32/cmd.exe exited; CPU time 6361.062500
23:18:14 (14608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 96528063 bytes.
Dumping objects ->
{3835466} normal block at 0x000002A40E295CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835455} normal block at 0x000002A40E295D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x000002A40E295BD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835433} normal block at 0x000002A40E295B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835422} normal block at 0x000002A40E2959A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835391} normal block at 0x000002A40FF68EF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835380} normal block at 0x000002A40FFC68A0, 180 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) : {3835377} normal block at 0x000002A40E290420, 8 bytes long.
 Data: <  # &#164;   > 00 00 23 0E A4 02 00 00 
{3834659} normal block at 0x000002A40FFC5E50, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002A40E2901F0, 8 bytes long.
 Data: < &#191;+ &#164;   > 80 BF 2B 0E A4 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A40E291A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A40E286EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002A40E296750, 16 bytes long.
 Data: < t) &#164;           > 98 74 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A40E296340, 16 bytes long.
 Data: <pt) &#164;           > 70 74 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A40E2914B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002A40E2964D0, 16 bytes long.
 Data: <Ht) &#164;           > 48 74 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A40E297060, 16 bytes long.
 Data: < t) &#164;           > 20 74 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A40E296250, 16 bytes long.
 Data: <&#248;s) &#164;           > F8 73 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A40E296700, 16 bytes long.
 Data: <&#208;s) &#164;           > D0 73 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A40E295AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002A40E297100, 16 bytes long.
 Data: <&#168;&#245;( &#164;           > A8 F5 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A40E290730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002A40E296B10, 16 bytes long.
 Data: < &#245;( &#164;           > 80 F5 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A40E296A20, 16 bytes long.
 Data: <X&#245;( &#164;           > 58 F5 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A40E2962F0, 16 bytes long.
 Data: <0&#245;( &#164;           > 30 F5 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A40E296BB0, 16 bytes long.
 Data: < &#245;( &#164;           > 08 F5 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A40E296A70, 16 bytes long.
 Data: <&#224;&#244;( &#164;           > E0 F4 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A40E296890, 16 bytes long.
 Data: <&#184;&#244;( &#164;           > B8 F4 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A40E2912D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002A40E296D40, 16 bytes long.
 Data: < &#244;( &#164;           > 90 F4 28 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A40E28F490, 320 bytes long.
 Data: <@m) &#164;   &#208; ) &#164;   > 40 6D 29 0E A4 02 00 00 D0 12 29 0E A4 02 00 00 
{274} normal block at 0x000002A40E2967A0, 16 bytes long.
 Data: <&#176;s) &#164;           > B0 73 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A40E296B60, 16 bytes long.
 Data: < s) &#164;           > 88 73 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A40E2911B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002A40E296660, 16 bytes long.
 Data: <`s) &#164;           > 60 73 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A40E290D30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002A40E296FC0, 16 bytes long.
 Data: <&#168;r) &#164;           > A8 72 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A40E2965C0, 16 bytes long.
 Data: < r) &#164;           > 80 72 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A40E2961B0, 16 bytes long.
 Data: <Xr) &#164;           > 58 72 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A40E296CA0, 16 bytes long.
 Data: <0r) &#164;           > 30 72 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A40E296E30, 16 bytes long.
 Data: < r) &#164;           > 08 72 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A40E297010, 16 bytes long.
 Data: <&#224;q) &#164;           > E0 71 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A40E2962A0, 16 bytes long.
 Data: < Z) &#164;           > 80 5A 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A40E295A80, 40 bytes long.
 Data: <&#160;b) &#164;   &#240;&#142;&#246; &#164;   > A0 62 29 0E A4 02 00 00 F0 8E F6 0F A4 02 00 00 
{260} normal block at 0x000002A40E296AC0, 16 bytes long.
 Data: <&#192;q) &#164;           > C0 71 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A40E296DE0, 16 bytes long.
 Data: < q) &#164;           > 98 71 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A40E2906D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002A40E296F70, 16 bytes long.
 Data: <pq) &#164;           > 70 71 29 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A40E297170, 992 bytes long.
 Data: <po) &#164;   &#208; ) &#164;   > 70 6F 29 0E A4 02 00 00 D0 06 29 0E A4 02 00 00 
{92} normal block at 0x000002A40E290C10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002A40E290240, 16 bytes long.
 Data: <&#176;&#239;' &#164;           > B0 EF 27 0E A4 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002A40E27EFB0, 40 bytes long.
 Data: <@ ) &#164;     ) &#164;   > 40 02 29 0E A4 02 00 00 10 0C 29 0E A4 02 00 00 
{69} normal block at 0x000002A40E290010, 16 bytes long.
 Data: < &#234;&#254; &#247;           > 80 EA FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A40E28FC50, 16 bytes long.
 Data: <@&#233;&#254; &#247;           > 40 E9 FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A40E290510, 16 bytes long.
 Data: <&#248;W&#251; &#247;           > F8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A40E28FED0, 16 bytes long.
 Data: <&#216;W&#251; &#247;           > D8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A40E28FE80, 16 bytes long.
 Data: <P &#251; &#247;           > 50 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A40E2901A0, 16 bytes long.
 Data: <0 &#251; &#247;           > 30 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A40E2904C0, 16 bytes long.
 Data: <&#224; &#251; &#247;           > E0 02 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A40E28F700, 16 bytes long.
 Data: <  &#251; &#247;           > 10 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A40E28FFC0, 16 bytes long.
 Data: <p &#251; &#247;           > 70 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A40E2903D0, 16 bytes long.
 Data: < &#192;&#249; &#247;           > 18 C0 F9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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