Task 38650820

Name test_95-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND1486_0
Workunit 31595292
Created 24 Oct 2026, 0:19:04 UTC
Sent 24 Oct 2026, 0:38:36 UTC
Report deadline 29 Oct 2026, 0:38:36 UTC
Received 24 Oct 2026, 3:13:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615524
Run time 1 hours 47 min 25 sec
CPU time 1 hours 41 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.03 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
10:23:50 (31388): wrapper (7.9.26016): starting
10:23:50 (31388): 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
10:23:52 (31388): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:23:52 (31388): 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 'D:\BOINC\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 'D:\BOINC\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
12:09:37 (31388): C:/Windows/system32/cmd.exe exited; CPU time 6109.250000
12:09:37 (31388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 137780187 bytes.
Dumping objects ->
{3835350} normal block at 0x0000014F8E411480, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835339} normal block at 0x0000014F8E8C3320, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835328} normal block at 0x0000014F8E8C33E0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835317} normal block at 0x0000014F8E8C3560, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835306} normal block at 0x0000014F8E8C30E0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835275} normal block at 0x0000014F8E410D10, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835262} normal block at 0x0000014F8C9564C0, 8 bytes long.
 Data: <    O   > 00 00 93 8C 4F 01 00 00 
{3834045} normal block at 0x0000014F8C956A10, 8 bytes long.
 Data: <`&#205;  O   > 60 CD 7F 8E 4F 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000014F8C961DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014F8C94B8E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000014F8C9638D0, 16 bytes long.
 Data: <H@  O           > 48 40 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014F8C962ED0, 16 bytes long.
 Data: < @  O           > 20 40 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014F8C95CE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000014F8C962DE0, 16 bytes long.
 Data: < ?  O           > F8 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014F8C963B00, 16 bytes long.
 Data: <&#208;?  O           > D0 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014F8C962D90, 16 bytes long.
 Data: <&#168;?  O           > A8 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014F8C9639C0, 16 bytes long.
 Data: < ?  O           > 80 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014F8C95B870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000014F8C963330, 16 bytes long.
 Data: <8&#199;  O           > 38 C7 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014F8C95CD80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000014F8C963A60, 16 bytes long.
 Data: < &#199;  O           > 10 C7 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014F8C963100, 16 bytes long.
 Data: < &#198;  O           > E8 C6 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014F8C9631F0, 16 bytes long.
 Data: <&#192;&#198;  O           > C0 C6 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014F8C962D40, 16 bytes long.
 Data: < &#198;  O           > 98 C6 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014F8C963970, 16 bytes long.
 Data: <p&#198;  O           > 70 C6 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014F8C963380, 16 bytes long.
 Data: <H&#198;  O           > 48 C6 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014F8C95D320, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000014F8C962CF0, 16 bytes long.
 Data: < &#198;  O           > 20 C6 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014F8C95C620, 320 bytes long.
 Data: < ,  O    &#211;  O   > F0 2C 96 8C 4F 01 00 00 20 D3 95 8C 4F 01 00 00 
{273} normal block at 0x0000014F8C962BB0, 16 bytes long.
 Data: <`?  O           > 60 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014F8C963290, 16 bytes long.
 Data: <8?  O           > 38 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014F8C95D0E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000014F8C962F70, 16 bytes long.
 Data: < ?  O           > 10 3F 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014F8C95C960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000014F8C9634C0, 16 bytes long.
 Data: <X>  O           > 58 3E 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014F8C9636A0, 16 bytes long.
 Data: <0>  O           > 30 3E 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014F8C962FC0, 16 bytes long.
 Data: < >  O           > 08 3E 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014F8C963560, 16 bytes long.
 Data: < =  O           > E0 3D 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014F8C962CA0, 16 bytes long.
 Data: <&#184;=  O           > B8 3D 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014F8C963AB0, 16 bytes long.
 Data: < =  O           > 90 3D 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014F8C962C50, 16 bytes long.
 Data: < &#180;  O           > F0 B4 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014F8C95B4F0, 40 bytes long.
 Data: <P,  O     A O   > 50 2C 96 8C 4F 01 00 00 10 0D 41 8E 4F 01 00 00 
{259} normal block at 0x0000014F8C963240, 16 bytes long.
 Data: <p=  O           > 70 3D 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014F8C963740, 16 bytes long.
 Data: <H=  O           > 48 3D 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014F8C95C8A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000014F8C9632E0, 16 bytes long.
 Data: < =  O           > 20 3D 96 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000014F8C963D20, 992 bytes long.
 Data: < 2  O    &#200;  O   > E0 32 96 8C 4F 01 00 00 A0 C8 95 8C 4F 01 00 00 
{91} normal block at 0x0000014F8C95D2C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000014F8C9567E0, 16 bytes long.
 Data: < &#184;  O           > 00 B8 95 8C 4F 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000014F8C95B800, 40 bytes long.
 Data: < g  O   &#192;&#210;  O   > E0 67 95 8C 4F 01 00 00 C0 D2 95 8C 4F 01 00 00 
{66} normal block at 0x0000014F8C957280, 16 bytes long.
 Data: <                > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014F8C9571E0, 16 bytes long.
 Data: <@               > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014F8C957190, 16 bytes long.
 Data: < W              > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014F8C957140, 16 bytes long.
 Data: <&#216;W              > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014F8C9566F0, 16 bytes long.
 Data: <P               > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014F8C956BA0, 16 bytes long.
 Data: <0               > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014F8C9569C0, 16 bytes long.
 Data: <                > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014F8C956790, 16 bytes long.
 Data: <                > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014F8C956B00, 16 bytes long.
 Data: <p               > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014F8C9573C0, 16 bytes long.
 Data: < &#192;              > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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