Task 38683628

Name test_8-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2091_0
Workunit 31625179
Created 27 Oct 2026, 12:37:12 UTC
Sent 27 Oct 2026, 12:37:20 UTC
Report deadline 1 Nov 2026, 12:37:20 UTC
Received 27 Oct 2026, 16:06:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min
CPU time 29 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.95 MB
Peak swap size 9.94 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:33:32 (27876): wrapper (7.9.26016): starting
00:33:32 (27876): 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
00:33:34 (27876): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:34 (27876): 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\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 'D:\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
01:04:05 (27876): C:/Windows/system32/cmd.exe exited; CPU time 1794.359375
01:04:05 (27876): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 35783425 bytes.
Dumping objects ->
{3835578} normal block at 0x0000022DA0D04E70, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x0000022DA2E02330, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x0000022DA2E01730, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x0000022DA2E01190, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x0000022DA2E02450, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x0000022DA0D04E00, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x0000022DA0D5BF80, 140 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) : {3835489} normal block at 0x0000022DA0CFF5A0, 8 bytes long.
 Data: <  &#204; -   > 00 00 CC A0 2D 02 00 00 
{3834767} normal block at 0x0000022DA0D5C2C0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x0000022DA0CFEBF0, 8 bytes long.
 Data: <P &#206; -   > 50 E1 CE A0 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022DA0CF0330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022DA0CF7E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000022DA0D067D0, 16 bytes long.
 Data: <Hm&#208; -           > 48 6D D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022DA0D05B00, 16 bytes long.
 Data: < m&#208; -           > 20 6D D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022DA0D011F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000022DA0D06230, 16 bytes long.
 Data: < l&#208; -           > F8 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022DA0D05C40, 16 bytes long.
 Data: <&#208;l&#208; -           > D0 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022DA0D061E0, 16 bytes long.
 Data: <&#168;l&#208; -           > A8 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022DA0D065F0, 16 bytes long.
 Data: < l&#208; -           > 80 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022DA0D05180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000022DA0D05E20, 16 bytes long.
 Data: <h&#165;&#207; -           > 68 A5 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022DA0D008F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000022DA0D05AB0, 16 bytes long.
 Data: <@&#165;&#207; -           > 40 A5 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022DA0D05DD0, 16 bytes long.
 Data: < &#165;&#207; -           > 18 A5 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022DA0D06190, 16 bytes long.
 Data: < &#164;&#207; -           > F0 A4 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022DA0D060F0, 16 bytes long.
 Data: <&#200;&#164;&#207; -           > C8 A4 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022DA0D060A0, 16 bytes long.
 Data: < &#164;&#207; -           > A0 A4 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022DA0D05D80, 16 bytes long.
 Data: <x&#164;&#207; -           > 78 A4 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022DA0D01430, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000022DA0D05A60, 16 bytes long.
 Data: <P&#164;&#207; -           > 50 A4 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022DA0CFA450, 320 bytes long.
 Data: <`Z&#208; -   0 &#208; -   > 60 5A D0 A0 2D 02 00 00 30 14 D0 A0 2D 02 00 00 
{279} normal block at 0x0000022DA0D05FB0, 16 bytes long.
 Data: <`l&#208; -           > 60 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022DA0D06960, 16 bytes long.
 Data: <8l&#208; -           > 38 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022DA0D01070, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000022DA0D05D30, 16 bytes long.
 Data: < l&#208; -           > 10 6C D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022DA0D01670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000022DA0D06050, 16 bytes long.
 Data: <Xk&#208; -           > 58 6B D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022DA0D05CE0, 16 bytes long.
 Data: <0k&#208; -           > 30 6B D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022DA0D05C90, 16 bytes long.
 Data: < k&#208; -           > 08 6B D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022DA0D06910, 16 bytes long.
 Data: < j&#208; -           > E0 6A D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022DA0D06000, 16 bytes long.
 Data: <&#184;j&#208; -           > B8 6A D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022DA0D069B0, 16 bytes long.
 Data: < j&#208; -           > 90 6A D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022DA0D06640, 16 bytes long.
 Data: <PO&#208; -           > 50 4F D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022DA0D04F50, 40 bytes long.
 Data: <@f&#208; -    N&#208; -   > 40 66 D0 A0 2D 02 00 00 00 4E D0 A0 2D 02 00 00 
{265} normal block at 0x0000022DA0D06140, 16 bytes long.
 Data: <pj&#208; -           > 70 6A D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022DA0D06780, 16 bytes long.
 Data: <Hj&#208; -           > 48 6A D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022DA0D00F50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000022DA0D06730, 16 bytes long.
 Data: < j&#208; -           > 20 6A D0 A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022DA0D06A20, 992 bytes long.
 Data: <0g&#208; -   P &#208; -   > 30 67 D0 A0 2D 02 00 00 50 0F D0 A0 2D 02 00 00 
{97} normal block at 0x0000022DA0D00D10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000022DA0CFF140, 16 bytes long.
 Data: < &#163;&#207; -           > E0 A3 CF A0 2D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022DA0CFA3E0, 40 bytes long.
 Data: <@ &#207; -     &#208; -   > 40 F1 CF A0 2D 02 00 00 10 0D D0 A0 2D 02 00 00 
{72} normal block at 0x0000022DA0CFF1E0, 16 bytes long.
 Data: <  &#212;_            > 80 EA D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022DA0CFE8D0, 16 bytes long.
 Data: <@ &#212;_            > 40 E9 D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022DA0CFEA10, 16 bytes long.
 Data: < W&#209;_            > F8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022DA0CFEC40, 16 bytes long.
 Data: <&#216;W&#209;_            > D8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022DA0CFE970, 16 bytes long.
 Data: <P &#209;_            > 50 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022DA0CFE6F0, 16 bytes long.
 Data: <0 &#209;_            > 30 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022DA0CFF460, 16 bytes long.
 Data: <  &#209;_            > E0 02 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022DA0CFEB50, 16 bytes long.
 Data: <  &#209;_            > 10 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022DA0CFF280, 16 bytes long.
 Data: <p &#209;_            > 70 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022DA0CFEE20, 16 bytes long.
 Data: < &#192;&#207;_            > 18 C0 CF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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