Task 38681146

Name test_14-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4642_0
Workunit 31622828
Created 27 Oct 2026, 2:52:12 UTC
Sent 27 Oct 2026, 2:52:18 UTC
Report deadline 1 Nov 2026, 2:52:18 UTC
Received 27 Oct 2026, 3:23:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 30 min 35 sec
CPU time 30 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.89 MB
Peak swap size 5.42 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:54:31 (3612): wrapper (7.9.26016): starting
11:54:31 (3612): 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
11:54:32 (3612): Library/usr/bin/tar.exe exited; CPU time 231.984375
11:54:32 (3612): 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 'E:\BoincData\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 'E:\BoincData\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
12:23:07 (3612): C:/Windows/system32/cmd.exe exited; CPU time 1600.593750
12:23:07 (3612): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 39153897 bytes.
Dumping objects ->
{3835399} normal block at 0x00000239FF8A69F0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x00000239819879B0, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x0000023981987DD0, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x0000023981987230, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x0000023981988370, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x00000239FF8A6BB0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x0000023981950B30, 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) : {3835310} normal block at 0x00000239FF89EBA0, 8 bytes long.
 Data: <  &#220; 9   > 00 00 DC FF 39 02 00 00 
{3834688} normal block at 0x0000023981950450, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x00000239FF89F6E0, 8 bytes long.
 Data: <    9   > 90 E5 88 FF 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000239FF89F7A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000239FF897930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000239FF8A7750, 16 bytes long.
 Data: <&#216;   9           > D8 85 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000239FF8A7570, 16 bytes long.
 Data: <&#176;   9           > B0 85 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000239FF8A2620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000239FF8A7D90, 16 bytes long.
 Data: <    9           > 88 85 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000239FF8A7520, 16 bytes long.
 Data: <`   9           > 60 85 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000239FF8A8060, 16 bytes long.
 Data: <8   9           > 38 85 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000239FF8A74D0, 16 bytes long.
 Data: <    9           > 10 85 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000239FF8A6C90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000239FF8A7A70, 16 bytes long.
 Data: <H&#195;  9           > 48 C3 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000239FF8A2920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000239FF8A7930, 16 bytes long.
 Data: < &#195;  9           > 20 C3 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000239FF8A7ED0, 16 bytes long.
 Data: < &#194;  9           > F8 C2 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000239FF8A7700, 16 bytes long.
 Data: <&#208;&#194;  9           > D0 C2 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000239FF8A7840, 16 bytes long.
 Data: <&#168;&#194;  9           > A8 C2 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000239FF8A7E80, 16 bytes long.
 Data: < &#194;  9           > 80 C2 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000239FF8A7CA0, 16 bytes long.
 Data: <X&#194;  9           > 58 C2 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000239FF8A23E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000239FF8A78E0, 16 bytes long.
 Data: <0&#194;  9           > 30 C2 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000239FF88C230, 320 bytes long.
 Data: < x  9    #  9   > E0 78 8A FF 39 02 00 00 E0 23 8A FF 39 02 00 00 
{281} normal block at 0x00000239FF8A7390, 16 bytes long.
 Data: <    9           > F0 84 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000239FF8A7480, 16 bytes long.
 Data: <&#200;   9           > C8 84 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239FF8A1DE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000239FF8A7C50, 16 bytes long.
 Data: <    9           > A0 84 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000239FF8A2680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000239FF8A7430, 16 bytes long.
 Data: <    9           > E8 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000239FF8A72F0, 16 bytes long.
 Data: <&#192;   9           > C0 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000239FF8A7D40, 16 bytes long.
 Data: <    9           > 98 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239FF8A8240, 16 bytes long.
 Data: <p   9           > 70 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000239FF8A7340, 16 bytes long.
 Data: <H   9           > 48 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000239FF8A80B0, 16 bytes long.
 Data: <    9           > 20 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000239FF8A73E0, 16 bytes long.
 Data: <0h  9           > 30 68 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000239FF8A6830, 40 bytes long.
 Data: < s  9   &#176;k  9   > E0 73 8A FF 39 02 00 00 B0 6B 8A FF 39 02 00 00 
{267} normal block at 0x00000239FF8A8100, 16 bytes long.
 Data: <    9           > 00 83 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000239FF8A7FC0, 16 bytes long.
 Data: <&#216;   9           > D8 82 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000239FF8A28C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000239FF8A8150, 16 bytes long.
 Data: <&#176;   9           > B0 82 8A FF 39 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000239FF8A82B0, 992 bytes long.
 Data: <P   9   &#192;(  9   > 50 81 8A FF 39 02 00 00 C0 28 8A FF 39 02 00 00 
{99} normal block at 0x00000239FF8A2AA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000239FF89F640, 16 bytes long.
 Data: <P   9           > 50 EA 88 FF 39 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000239FF88EA50, 40 bytes long.
 Data: <@   9    *  9   > 40 F6 89 FF 39 02 00 00 A0 2A 8A FF 39 02 00 00 
{74} normal block at 0x00000239FF89EA10, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000239FF89EC90, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000239FF89F320, 16 bytes long.
 Data: < W              > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000239FF89F460, 16 bytes long.
 Data: <&#216;W              > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000239FF89F550, 16 bytes long.
 Data: <P               > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000239FF89EE70, 16 bytes long.
 Data: <0               > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000239FF89F2D0, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000239FF89EC40, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000239FF89F500, 16 bytes long.
 Data: <p               > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000239FF89F5F0, 16 bytes long.
 Data: < &#192;              > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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