Task 38686403

Name test_981-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4125_0
Workunit 31627836
Created 28 Oct 2026, 2:18:14 UTC
Sent 28 Oct 2026, 2:18:20 UTC
Report deadline 2 Nov 2026, 2:18:20 UTC
Received 28 Oct 2026, 4:21:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 31 sec
CPU time 51 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.81 MB
Peak swap size 9.91 GB
Peak disk usage 3.13 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
23:21:28 (54384): wrapper (7.9.26016): starting
23:21:28 (54384): 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
23:21:33 (54384): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:21:33 (54384): 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
00:20:10 (54384): C:/Windows/system32/cmd.exe exited; CPU time 3096.984375
00:20:10 (54384): 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: 83663033 bytes.
Dumping objects ->
{3835500} normal block at 0x0000015F303B4820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000015F303B47B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x0000015F303B4740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000015F303B4BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000015F303B49E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x0000015F322845A0, 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) : {3835412} normal block at 0x0000015F303AEA20, 8 bytes long.
 Data: <   0_   > 00 00 8F 30 5F 01 00 00 
{3833959} normal block at 0x0000015F303AEE30, 8 bytes long.
 Data: <&#176;&#223; 2_   > B0 DF 19 32 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015F303B0E50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015F303A67E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000015F303B54F0, 16 bytes long.
 Data: < f;0_           > 98 66 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015F303B5BD0, 16 bytes long.
 Data: <pf;0_           > 70 66 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015F303B0560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000015F303B5DB0, 16 bytes long.
 Data: <Hf;0_           > 48 66 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015F303B5F40, 16 bytes long.
 Data: < f;0_           > 20 66 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015F303B61C0, 16 bytes long.
 Data: <&#248;e;0_           > F8 65 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015F303B5A40, 16 bytes long.
 Data: <&#208;e;0_           > D0 65 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015F303B4C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000015F303B5D10, 16 bytes long.
 Data: <x&#229;:0_           > 78 E5 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015F303B04A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000015F303B5CC0, 16 bytes long.
 Data: <P&#229;:0_           > 50 E5 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015F303B6170, 16 bytes long.
 Data: <(&#229;:0_           > 28 E5 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015F303B6080, 16 bytes long.
 Data: < &#229;:0_           > 00 E5 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015F303B5680, 16 bytes long.
 Data: <&#216;&#228;:0_           > D8 E4 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015F303B5EF0, 16 bytes long.
 Data: <&#176;&#228;:0_           > B0 E4 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015F303B5630, 16 bytes long.
 Data: < &#228;:0_           > 88 E4 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015F303B03E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000015F303B5900, 16 bytes long.
 Data: <`&#228;:0_           > 60 E4 3A 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015F303AE460, 320 bytes long.
 Data: < Y;0_   &#224; ;0_   > 00 59 3B 30 5F 01 00 00 E0 03 3B 30 5F 01 00 00 
{275} normal block at 0x0000015F303B58B0, 16 bytes long.
 Data: <&#176;e;0_           > B0 65 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015F303B59F0, 16 bytes long.
 Data: < e;0_           > 88 65 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015F303AFF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000015F303B5770, 16 bytes long.
 Data: <`e;0_           > 60 65 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015F303AFE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000015F303B5810, 16 bytes long.
 Data: <&#168;d;0_           > A8 64 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015F303B5B80, 16 bytes long.
 Data: < d;0_           > 80 64 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015F303B54A0, 16 bytes long.
 Data: <Xd;0_           > 58 64 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015F303B59A0, 16 bytes long.
 Data: <0d;0_           > 30 64 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015F303B5720, 16 bytes long.
 Data: < d;0_           > 08 64 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015F303B5A90, 16 bytes long.
 Data: <&#224;c;0_           > E0 63 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015F303B5EA0, 16 bytes long.
 Data: < L;0_           > 10 4C 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015F303B4C10, 40 bytes long.
 Data: <&#160;^;0_   &#160;E(2_   > A0 5E 3B 30 5F 01 00 00 A0 45 28 32 5F 01 00 00 
{261} normal block at 0x0000015F303B55E0, 16 bytes long.
 Data: <&#192;c;0_           > C0 63 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015F303B5E50, 16 bytes long.
 Data: < c;0_           > 98 63 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015F303AFC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000015F303B5860, 16 bytes long.
 Data: <pc;0_           > 70 63 3B 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015F303B6370, 992 bytes long.
 Data: <`X;0_   `&#252;:0_   > 60 58 3B 30 5F 01 00 00 60 FC 3A 30 5F 01 00 00 
{93} normal block at 0x0000015F303AFCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000015F303AF060, 16 bytes long.
 Data: < &#223;90_           > 20 DF 39 30 5F 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000015F3039DF20, 40 bytes long.
 Data: <`&#240;:0_   &#192;&#252;:0_   > 60 F0 3A 30 5F 01 00 00 C0 FC 3A 30 5F 01 00 00 
{70} normal block at 0x0000015F303AE6B0, 16 bytes long.
 Data: < &#234;&#203;e&#247;           > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015F303AEBB0, 16 bytes long.
 Data: <@&#233;&#203;e&#247;           > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015F303AE8E0, 16 bytes long.
 Data: <&#248;W&#200;e&#247;           > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015F303AF150, 16 bytes long.
 Data: <&#216;W&#200;e&#247;           > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015F303AEFC0, 16 bytes long.
 Data: <P &#200;e&#247;           > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015F303AEF70, 16 bytes long.
 Data: <0 &#200;e&#247;           > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015F303AE930, 16 bytes long.
 Data: <&#224; &#200;e&#247;           > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015F303AEDE0, 16 bytes long.
 Data: <  &#200;e&#247;           > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015F303AF3D0, 16 bytes long.
 Data: <p &#200;e&#247;           > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015F303AEB60, 16 bytes long.
 Data: < &#192;&#198;e&#247;           > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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