Task 38682032

Name test_383-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2067_0
Workunit 31623669
Created 27 Oct 2026, 6:18:37 UTC
Sent 27 Oct 2026, 6:18:43 UTC
Report deadline 1 Nov 2026, 6:18:43 UTC
Received 27 Oct 2026, 18:43:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641248
Run time 1 hours 48 min 23 sec
CPU time 1 hours 46 min 49 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 752.42 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>
17:55:34 (6696): wrapper (7.9.26016): starting
17:55:34 (6696): 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
17:55:35 (6696): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:55:35 (6696): 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
19:42:47 (6696): C:/Windows/system32/cmd.exe exited; CPU time 6409.375000
19:42:47 (6696): 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: 97017973 bytes.
Dumping objects ->
{3835466} normal block at 0x000002C0109B5E40, 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 0x000002C0109B5DD0, 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 0x000002C0109B5F20, 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 0x000002C0109B5CF0, 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 0x000002C0109B5F90, 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 0x000002C0127B54F0, 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 0x000002C01099FF30, 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 0x000002C0109B0080, 8 bytes long.
 Data: <  &#149; &#192;   > 00 00 95 10 C0 02 00 00 
{3834659} normal block at 0x000002C0109A0020, 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 0x000002C0109AFF90, 8 bytes long.
 Data: <&#208;R  &#192;   > D0 52 81 12 C0 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002C0109B2590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C0109A6C20, 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 0x000002C0109B67E0, 16 bytes long.
 Data: <Hx&#155; &#192;           > 48 78 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C0109B6FB0, 16 bytes long.
 Data: < x&#155; &#192;           > 20 78 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C0109B1420, 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 0x000002C0109B6790, 16 bytes long.
 Data: <&#248;w&#155; &#192;           > F8 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C0109B68D0, 16 bytes long.
 Data: <&#208;w&#155; &#192;           > D0 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C0109B6970, 16 bytes long.
 Data: <&#168;w&#155; &#192;           > A8 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C0109B71E0, 16 bytes long.
 Data: < w&#155; &#192;           > 80 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C0109B5BA0, 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 0x000002C0109B7320, 16 bytes long.
 Data: <x&#245;&#154; &#192;           > 78 F5 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C0109B0820, 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 0x000002C0109B74B0, 16 bytes long.
 Data: <P&#245;&#154; &#192;           > 50 F5 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C0109B6650, 16 bytes long.
 Data: <(&#245;&#154; &#192;           > 28 F5 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C0109B6BF0, 16 bytes long.
 Data: < &#245;&#154; &#192;           > 00 F5 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C0109B7050, 16 bytes long.
 Data: <&#216;&#244;&#154; &#192;           > D8 F4 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C0109B7460, 16 bytes long.
 Data: <&#176;&#244;&#154; &#192;           > B0 F4 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C0109B6CE0, 16 bytes long.
 Data: < &#244;&#154; &#192;           > 88 F4 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C0109B1300, 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 0x000002C0109B7370, 16 bytes long.
 Data: <`&#244;&#154; &#192;           > 60 F4 9A 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C0109AF460, 320 bytes long.
 Data: <ps&#155; &#192;     &#155; &#192;   > 70 73 9B 10 C0 02 00 00 00 13 9B 10 C0 02 00 00 
{274} normal block at 0x000002C0109B6EC0, 16 bytes long.
 Data: <`w&#155; &#192;           > 60 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C0109B6B50, 16 bytes long.
 Data: <8w&#155; &#192;           > 38 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C0109B1240, 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 0x000002C0109B6B00, 16 bytes long.
 Data: < w&#155; &#192;           > 10 77 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C0109B0BE0, 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 0x000002C0109B6740, 16 bytes long.
 Data: <Xv&#155; &#192;           > 58 76 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C0109B7190, 16 bytes long.
 Data: <0v&#155; &#192;           > 30 76 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C0109B6AB0, 16 bytes long.
 Data: < v&#155; &#192;           > 08 76 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C0109B6D80, 16 bytes long.
 Data: <&#224;u&#155; &#192;           > E0 75 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C0109B7410, 16 bytes long.
 Data: <&#184;u&#155; &#192;           > B8 75 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C0109B6560, 16 bytes long.
 Data: < u&#155; &#192;           > 90 75 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C0109B70F0, 16 bytes long.
 Data: <0b&#155; &#192;           > 30 62 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C0109B6230, 40 bytes long.
 Data: <&#240;p&#155; &#192;   &#240;T{ &#192;   > F0 70 9B 10 C0 02 00 00 F0 54 7B 12 C0 02 00 00 
{260} normal block at 0x000002C0109B65B0, 16 bytes long.
 Data: <pu&#155; &#192;           > 70 75 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C0109B6C40, 16 bytes long.
 Data: <Hu&#155; &#192;           > 48 75 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C0109B09A0, 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 0x000002C0109B6C90, 16 bytes long.
 Data: < u&#155; &#192;           > 20 75 9B 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C0109B7520, 992 bytes long.
 Data: < l&#155; &#192;   &#160;	&#155; &#192;   > 90 6C 9B 10 C0 02 00 00 A0 09 9B 10 C0 02 00 00 
{92} normal block at 0x000002C0109B0FA0, 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 0x000002C0109B03F0, 16 bytes long.
 Data: <p&#199;  &#192;           > 70 C7 99 10 C0 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002C01099C770, 40 bytes long.
 Data: <&#240; &#155; &#192;   &#160; &#155; &#192;   > F0 03 9B 10 C0 02 00 00 A0 0F 9B 10 C0 02 00 00 
{69} normal block at 0x000002C0109AFBD0, 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 0x000002C0109AFF40, 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 0x000002C0109AFEF0, 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 0x000002C0109B03A0, 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 0x000002C0109B04E0, 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 0x000002C0109B00D0, 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 0x000002C0109AFC70, 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 0x000002C0109AFB80, 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 0x000002C0109B0030, 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 0x000002C0109AFE00, 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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