Task 38677219

Name test_705-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2737_0
Workunit 31619100
Created 26 Oct 2026, 13:39:31 UTC
Sent 26 Oct 2026, 13:39:31 UTC
Report deadline 31 Oct 2026, 13:39:31 UTC
Received 26 Oct 2026, 14:23:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 23 min 51 sec
CPU time 20 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.21 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:59:43 (23240): wrapper (7.9.26016): starting
14:59:43 (23240): 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
14:59:44 (23240): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:59:44 (23240): 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\2\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\2\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
15:22:44 (23240): C:/Windows/system32/cmd.exe exited; CPU time 1256.640625
15:22:44 (23240): 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: 20757651 bytes.
Dumping objects ->
{3835250} normal block at 0x0000015C75CF1170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000015C75CF0B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000015C75CF0D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000015C75CF0AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000015C75CF1640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000015C75DE46F0, 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) : {3835162} normal block at 0x0000015C74137CE0, 8 bytes long.
 Data: <   t\   > 00 00 0C 74 5C 01 00 00 
{3833957} normal block at 0x0000015C74137A10, 8 bytes long.
 Data: <&#192;9&#231;u\   > C0 39 E7 75 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015C741437F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015C7412D280, 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 0x0000015C741450F0, 16 bytes long.
 Data: < [ t\           > 18 5B 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015C74144830, 16 bytes long.
 Data: <&#240;Z t\           > F0 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015C7413ECE0, 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 0x0000015C74144FB0, 16 bytes long.
 Data: <&#200;Z t\           > C8 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015C74144BF0, 16 bytes long.
 Data: <&#160;Z t\           > A0 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015C741450A0, 16 bytes long.
 Data: <xZ t\           > 78 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C74145190, 16 bytes long.
 Data: <PZ t\           > 50 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015C7413C700, 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 0x0000015C74144F10, 16 bytes long.
 Data: <&#200;F t\           > C8 46 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015C7413E920, 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 0x0000015C74144BA0, 16 bytes long.
 Data: <&#160;F t\           > A0 46 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015C74144B50, 16 bytes long.
 Data: <xF t\           > 78 46 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015C74144CE0, 16 bytes long.
 Data: <PF t\           > 50 46 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C74144B00, 16 bytes long.
 Data: <(F t\           > 28 46 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015C74145050, 16 bytes long.
 Data: < F t\           > 00 46 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015C74145640, 16 bytes long.
 Data: <&#216;E t\           > D8 45 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015C7413E740, 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 0x0000015C74144F60, 16 bytes long.
 Data: <&#176;E t\           > B0 45 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015C741445B0, 320 bytes long.
 Data: <`O t\   @&#231; t\   > 60 4F 14 74 5C 01 00 00 40 E7 13 74 5C 01 00 00 
{274} normal block at 0x0000015C74145230, 16 bytes long.
 Data: <0Z t\           > 30 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015C74144AB0, 16 bytes long.
 Data: < Z t\           > 08 5A 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015C7413EB60, 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 0x0000015C74145460, 16 bytes long.
 Data: <&#224;Y t\           > E0 59 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015C7413EC80, 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 0x0000015C74145370, 16 bytes long.
 Data: <(Y t\           > 28 59 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015C741455A0, 16 bytes long.
 Data: < Y t\           > 00 59 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C74144A60, 16 bytes long.
 Data: <&#216;X t\           > D8 58 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015C74145780, 16 bytes long.
 Data: <&#176;X t\           > B0 58 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C74145320, 16 bytes long.
 Data: < X t\           > 88 58 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015C74144EC0, 16 bytes long.
 Data: <`X t\           > 60 58 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015C74144A10, 16 bytes long.
 Data: <&#208;&#203; t\           > D0 CB 13 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015C7413CBD0, 40 bytes long.
 Data: < J t\   &#240;F&#222;u\   > 10 4A 14 74 5C 01 00 00 F0 46 DE 75 5C 01 00 00 
{260} normal block at 0x0000015C741453C0, 16 bytes long.
 Data: <@X t\           > 40 58 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015C741456E0, 16 bytes long.
 Data: < X t\           > 18 58 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015C7413E800, 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 0x0000015C74145410, 16 bytes long.
 Data: <&#240;W t\           > F0 57 14 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015C741457F0, 992 bytes long.
 Data: < T t\    &#232; t\   > 10 54 14 74 5C 01 00 00 00 E8 13 74 5C 01 00 00 
{92} normal block at 0x0000015C7413E8C0, 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 0x0000015C74138500, 16 bytes long.
 Data: <&#240;&#202; t\           > F0 CA 13 74 5C 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000015C7413CAF0, 40 bytes long.
 Data: < &#133; t\   &#192;&#232; t\   > 00 85 13 74 5C 01 00 00 C0 E8 13 74 5C 01 00 00 
{69} normal block at 0x0000015C741384B0, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015C74137790, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015C74138280, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015C74137C40, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015C74137BF0, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015C74137B00, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C74138460, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015C74138410, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015C74137EC0, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015C74138370, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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